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Search results for: '98105-45-4'
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4-Fluoro-3-methoxybenzyl alcohol
Cas Number: 128495-45-4Formula: C8H9FO2Molecular weight: 156.15Synonyms: 128495-45-4|(4-Fluoro-3-methoxyphenyl)methanol|4-FLUORO-3-METHOXYBENZYL ALCOHOL|Benzenemethanol, 4-f...SMILES: COC1=C(C=CC(=C1)CO)FInChIKey: FZEDGSMVRLKUOQ-UHFFFAOYSA-NInChI: InChI=1S/C8H9FO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
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2-(Dimethylamino)pyrimidine-4-carboxylic acid
Cas Number: 933759-45-6Formula: C7H9N3O2Molecular weight: 167.17Synonyms: 2-(dimethylamino)pyrimidine-4-carboxylic acid|933759-45-6|2-(dimethylamino)-4-Pyrimidinecarboxylic a...SMILES: CN(C)C1=NC=CC(=N1)C(=O)OInChIKey: WVCYPLUPYMEHMY-UHFFFAOYSA-NInChI: InChI=1S/C7H9N3O2/c1-10(2)7-8-4-3-5(9-7)6(11)12/h3-4H,1-2H3,(H,11,12)
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4-Bromospiro[fluorene-9,9'-xanthene]
Cas Number: 1609484-45-8Formula: C25H15BrOMolecular weight: 411.3Synonyms: 4-Bromo-spiro[9H-fluorene-9,9'-[9H]xanthene] | SCHEMBL15713407 | Spiro[9H-fluorene-9,9'-[9H]xanthene...SMILES: C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5OC6=CC=CC=C46)C=CC=C3BrInChIKey: WQAGYCVGNQJYKT-UHFFFAOYSA-NInChI: InChI=1S/C25H15BrO/c26-21-13-7-12-20-24(21)16-8-1-2-9-17(16)25(20)18-10-3-5-14-22(18)27-23-15-6-4-11-19(23)25/h1-15H
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ETHYL 1-(4-BROMOPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
Cas Number: 187998-45-4Formula: C13H13BrN2O2Molecular weight: 309.165Synonyms: ethyl 1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylate|187998-45-4|ethyl 1-(4-bromophenyl)-5-met...SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Br)CInChIKey: LMHJVIOBYOFILY-UHFFFAOYSA-NInChI: InChI=1S/C13H13BrN2O2/c1-3-18-13(17)12-8-15-16(9(12)2)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3
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2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile
Cas Number: 861069-45-6Formula: C12H15NO2Molecular weight: 205.25Synonyms: 2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile|861069-45-6|4-Isopropoxy-3-methoxyphenylacetonitrile|2-...SMILES: CC(C)OC1=C(C=C(C=C1)CC#N)OCInChIKey: QNDYSZLZQUROSI-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO2/c1-9(2)15-11-5-4-10(6-7-13)8-12(11)14-3/h4-5,8-9H,6H2,1-3H3
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2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine 4-nitrobenzoate
Cas Number: 161558-45-8Formula: C24H24ClN3O5Molecular weight: 469.93Synonyms: 161558-45-8|2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine 4-nitrobenzoate|4-[(4-Chlorophenyl...SMILES: C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]InChIKey: UQSUJCNJGVBZCU-UHFFFAOYSA-NInChI: InChI=1S/C17H19ClN2O.C7H5NO4/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-7,10,15,17,19H,8-9,11-12H2;1-4H,(H,9,10)
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Methyl 2-amino-4-(3-chlorophenyl)thiazole-5-carboxylate
Cas Number: 1065074-45-4Formula: C11H9ClN2O2SMolecular weight: 268.7Synonyms: METHYL 2-AMINO-4-(3-CHLOROPHENYL)THIAZOLE-5-CARBOXYLATE|1065074-45-4|methyl 2-amino-4-(3-chloropheny...SMILES: COC(=O)C1=C(N=C(S1)N)C2=CC(=CC=C2)ClInChIKey: JVRZGXBKKHCLFW-UHFFFAOYSA-NInChI: InChI=1S/C11H9ClN2O2S/c1-16-10(15)9-8(14-11(13)17-9)6-3-2-4-7(12)5-6/h2-5H,1H3,(H2,13,14)
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4-(Pyridin-3-yloxy)aniline
Cas Number: 80650-45-9Formula: C11H10N2OMolecular weight: 186.21Synonyms: 4-(pyridin-3-yloxy)aniline|80650-45-9|4-(Pyridin-3-yloxy)-phenylamine|4-(Pyridin-3-yloxy)phenylamine...SMILES: C1=CC(=CN=C1)OC2=CC=C(C=C2)NInChIKey: ZSLIXJKSPVCNHZ-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2O/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H,12H2
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6-chloropyridazin-4-amine
Cas Number: 29049-45-4Formula: C4H4ClN3Molecular weight: 129.55Synonyms: 29049-45-4|6-CHLORO-4-PYRIDAZINAMINE|6-chloropyridazin-4-amine|5-Amino-3-chloropyridazine|5-Amino-3-...SMILES: C1=C(C=NN=C1Cl)NInChIKey: VZPMXMNGPUEPAS-UHFFFAOYSA-NInChI: InChI=1S/C4H4ClN3/c5-4-1-3(6)2-7-8-4/h1-2H,(H2,6,8)
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4-Chloro-2-iodopyrrolo[1,2-f][1,2,4]triazine
Cas Number: 1039364-45-8Formula: C6H3ClIN3Molecular weight: 279.47Synonyms: 1039364-45-8|4-chloro-2-iodopyrrolo[2,1-f][1,2,4]triazine|4-Chloro-2-iodopyrrolo[1,2-f][1,2,4]triazi...SMILES: C1=CN2C(=C1)C(=NC(=N2)I)ClInChIKey: ACSUHYOSODMNIG-UHFFFAOYSA-NInChI: InChI=1S/C6H3ClIN3/c7-5-4-2-1-3-11(4)10-6(8)9-5/h1-3H
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2-(Morpholinomethyl)phenylboronic acid
Cas Number: 223433-45-2Formula: C11H16BNO3Molecular weight: 221.1Synonyms: 223433-45-2|2-(MORPHOLINOMETHYL)PHENYLBORONIC ACID|(2-(Morpholinomethyl)phenyl)boronic acid|2-(Morph...SMILES: B(C1=CC=CC=C1CN2CCOCC2)(O)OInChIKey: DFBBOZSTIQMBLF-UHFFFAOYSA-NInChI: InChI=1S/C11H16BNO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
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1-(2-Chloropyridin-4-yl)piperazine
Cas Number: 854159-45-8Formula: C9H12ClN3Molecular weight: 197.67Synonyms: 1-(2-Chloropyridin-4-yl)piperazine|854159-45-8|1-(2-CHLORO-PYRIDIN-4-YL)-PIPERAZINE|MFCD06738480|SCH...SMILES: C1CN(CCN1)C2=CC(=NC=C2)ClInChIKey: CVBPSGWUINXSQC-UHFFFAOYSA-NInChI: InChI=1S/C9H12ClN3/c10-9-7-8(1-2-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
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Ethyl 1h-indazole-4-carboxylate
Cas Number: 885279-45-8Formula: C10H10N2O2Molecular weight: 190.2Synonyms: ETHYL 1H-INDAZOLE-4-CARBOXYLATE|885279-45-8|MFCD07371611|1H-Indazole-4-carboxylic acid ethyl ester|E...SMILES: CCOC(=O)C1=C2C=NNC2=CC=C1InChIKey: ZYDRWPMGDIWCRN-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)7-4-3-5-9-8(7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12)
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Sodium dodecylbenzenesulfonate
Cas Number: 25155-30-0 EC Number: 246-680-4Formula: C18H29NaO3SMolecular weight: 348.48Synonyms: 69669-44-9|sodium;4-dodecan-3-ylbenzenesulfonate|2212-50-2|NCGC00164362-01|DSSTox_CID_5219|DSSTox_RI...
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1-Ethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
Cas Number: 656257-45-3Formula: C18H29BN2O2Molecular weight: 316.2Synonyms: 656257-45-3|4-(4-Ethylpiperazin-1-yl)phenylboronic acid pinacol ester|1-ETHYL-4-(4-(4,4,5,5-TETRAMET...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)CCInChIKey: OSJYTVPEVGWXNG-UHFFFAOYSA-NInChI: InChI=1S/C18H29BN2O2/c1-6-20-11-13-21(14-12-20)16-9-7-15(8-10-16)19-22-17(2,3)18(4,5)23-19/h7-10H,6,11-14H2,1-5H3
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Dimethylglyoxime
Formula: C4H8N2O2Molecular weight: 116.12Synonyms: DMG | dimethylglyoxim | DTXCID0024393 | CAS-95-45-4 | EN300-21562 | HY-W012898 | 2971MFT1KY | Biacet...SMILES: CC(=NO)C(=NO)CInChIKey: JGUQDUKBUKFFRO-GGWOSOGESA-NInChI: InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3/b5-3+,6-4+
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Histamine, Free Base, Activator of carbonic anhydrase 1;Activator of carbonic anhydrase 5A;Activator of carbonic anhydrase 7;Agonist of H 1 receptor;Agonist of H 2 receptor;Agonist of H 3 receptor;Agonist of H 4 receptor
Formula: C5H9N3Molecular weight: 111.15Synonyms: histamine|51-45-6|2-(1H-imidazol-5-yl)ethanamine|Ergamine|Ergotidine|1H-Imidazole-4-ethanamine|2-(4-...SMILES: C1=C(NC=N1)CCNInChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-NInChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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4-Amino-N-phenylbenzamide
Cas Number: 782-45-6Formula: C13H12N2OMolecular weight: 212.25Synonyms: 4-Amino-N-phenylbenzamide|782-45-6|4-Aminobenzanilide|Benzamide, 4-amino-N-phenyl-|Benzanilide, 4-am...SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NInChIKey: QHWDUJPWCGEBTH-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
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Methyl Levulinate
Cas Number: 624-45-3Formula: C6H10O3Molecular weight: 130.14Synonyms: Methyl levulinate|624-45-3|Methyl 4-oxopentanoate|methyllevulinate|Levulinic Acid Methyl Ester|Levul...SMILES: CC(=O)CCC(=O)OCInChIKey: UAGJVSRUFNSIHR-UHFFFAOYSA-NInChI: InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
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2,5-Dichloro-6-methoxy-4-methylnicotinonitrile
Cas Number: 886047-45-6Formula: C8H6Cl2N2OMolecular weight: 217.05Synonyms: 2,5-DICHLORO-6-METHOXY-4-METHYLNICOTINONITRILE|886047-45-6|2,5-dichloro-6-methoxy-4-methylpyridine-3...SMILES: CC1=C(C(=NC(=C1Cl)OC)Cl)C#NInChIKey: FAJSGZKKDBVZAO-UHFFFAOYSA-NInChI: InChI=1S/C8H6Cl2N2O/c1-4-5(3-11)7(10)12-8(13-2)6(4)9/h1-2H3
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A 971432, Agonist of S1P 1 receptor;Agonist of S1P 5 receptor
Cas Number: 1240308-45-5 EC Number: 827-461-8Formula: C18H17Cl2NO3Molecular weight: 366.24Synonyms: BDBM50499634 | 1-(4-((3,4-Dichlorobenzyl)oxy)benzyl)azetidine-3-carboxylic Acid | A971432 | A-971432...SMILES: C1C(CN1CC2=CC=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl)C(=O)OInChIKey: WAAWETUDFSIYSD-UHFFFAOYSA-NInChI: InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)
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4-Fluoro-N-(BOC)indole
Cas Number: 129822-45-3Formula: C13H14FNO2Molecular weight: 235.25Synonyms: 4-Fluoro-N-(BOC)indole|129822-45-3|tert-butyl 4-fluoro-1H-indole-1-carboxylate|tert-butyl 4-fluoroin...SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2FInChIKey: HWVFAXLKBJQDMB-UHFFFAOYSA-NInChI: InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
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2-Amino-5-bromo-4-methoxypyrimidine
Cas Number: 36082-45-8Formula: C5H6BrN3OMolecular weight: 204Synonyms: 2-Amino-5-bromo-4-methoxypyrimidine|36082-45-8|5-bromo-4-methoxypyrimidin-2-amine|MFCD08460376|5-bro...SMILES: COC1=NC(=NC=C1Br)NInChIKey: YGRROWNSCFWHHN-UHFFFAOYSA-NInChI: InChI=1S/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
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Ethyl 3-(N-BOC-piperidin-4-yl)propioate
Cas Number: 301232-45-1Formula: C15H27NO4Molecular weight: 285.4Synonyms: 301232-45-1|tert-butyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate|Ethyl 3-(N-BOC-piperidin-4-y...SMILES: CCOC(=O)CCC1CCN(CC1)C(=O)OC(C)(C)CInChIKey: LOMUFJYCJDQUID-UHFFFAOYSA-NInChI: InChI=1S/C15H27NO4/c1-5-19-13(17)7-6-12-8-10-16(11-9-12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3
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