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Search results for: '250-892-2,256-403-9'
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2,4-Pyridinedicarboxylic acid(PCA), Inhibitor of lysine demethylase 4A;Inhibitor of lysine demethylase 4E
Formula: C7H5NO4Molecular weight: 167.12Synonyms: Pyridine-2,4-dicarboxylic acid|499-80-9|2,4-PYRIDINEDICARBOXYLIC ACID|Lutidinic acid|2,4-PDCA|2,4-Lu...SMILES: C1=CN=C(C=C1C(=O)O)C(=O)OInChIKey: MJIVRKPEXXHNJT-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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Trimethyl orthoacetate
Formula: C5H12O3Molecular weight: 120.15Synonyms: SCHEMBL90785 | A808231 | Methyl orthoacetate | VS-02881 | D88002 | Ethane, 1,1,1-trimethoxy- | Tox21...SMILES: CC(OC)(OC)OCInChIKey: HDPNBNXLBDFELL-UHFFFAOYSA-NInChI: InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
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1-Ethylimidazole
Formula: C5H8N2Molecular weight: 96.13Synonyms: 2-Amino-4-benzoylaniline | PD163435 | N-Ethylimidazole | EC 230-403-9 | Iobenguane (123-i) | D70860 ...SMILES: CCN1C=CN=C1InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-NInChI: InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
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5-Chloro-2-methylaniline Hydrochloride
Cas Number: 6259-42-3Formula: C7H8ClN·HClMolecular weight: 178.06Synonyms: EINECS 228-403-9 | UNII-9684MXW9GV | 2-AMINO-4-CHLOROTOLUENEHCL | 5-chloro-2-methylaniline;hydrochlo...SMILES: CC1=C(C=C(C=C1)Cl)N.ClInChIKey: BMZGSMUCRXYUGB-UHFFFAOYSA-NInChI: InChI=1S/C7H8ClN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H
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α-Cyclopropylbenzyl Alcohol
Cas Number: 1007-03-0Formula: C10H12OMolecular weight: 148.21Synonyms: Cyclopropylphenylcarbinol | Benzenemethanol, alpha-cyclopropyl- | alpha-Cyclopropylphenylcarbinol | ...SMILES: C1CC1C(C2=CC=CC=C2)OInChIKey: GOXKCYOMDINCCD-UHFFFAOYSA-NInChI: InChI=1S/C10H12O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
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2,7-Dinitro-9-fluorenone
Cas Number: 31551-45-8Formula: C13H6N2O5Molecular weight: 270.2Synonyms: 9H-Fluoren-9-one, 2,7-dinitro- | AKOS015912847 | 2,7-Dinitrofluorenon | BDBM50134202 | BRN 1994019 |...SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]InChIKey: HDVGAFBXTXDYIB-UHFFFAOYSA-NInChI: InChI=1S/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H
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2-Phenoxybenzyl Chloride
Cas Number: 5888-53-9Formula: C13H11ClOMolecular weight: 218.68Synonyms: EINECS 250-623-9 | AM807503 | Benzene, (chloromethyl)phenoxy- | SCHEMBL3142433 | 2-(Chloromethyl)dip...SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2CClInChIKey: VIGILLBRWRDXDA-UHFFFAOYSA-NInChI: InChI=1S/C13H11ClO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2
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Methyl 2-phenylpropanoate
Cas Number: 31508-44-8 EC Number: ‘250-667-9Formula: C10H12O2Molecular weight: 164.2Synonyms: W13540 | AS-63286 | s8162 | (+/-)-METHYL 2-PHENYLPROPANOATE | NSC780020 | 2-phenyl-propionic acid me...SMILES: CC(C1=CC=CC=C1)C(=O)OCInChIKey: DZIQUZJSNSZOCH-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3
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Ammonium Salicylate
Cas Number: 528-94-9Formula: C7H9NO3Molecular weight: 155.15Synonyms: AC1613 | Benzoic acid, 2-hydroxy-, monoammonium salt | 0T3Q181657 | azanium;2-carboxyphenolate | Sal...SMILES: C1=CC=C(C(=C1)C(=O)O)[O-].[NH4+]InChIKey: BOFZOTMTKBQRAB-UHFFFAOYSA-NInChI: InChI=1S/C7H6O3.H3N/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3
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VX-222 (VCH-222, Lomibuvir)
Cas Number: 1026785-59-0Formula: C25H35NO4SMolecular weight: 445.63Synonyms: AS-19557 | 1026785-55-6 (or 1026785-59-0) | NCGC00386146-02 | SCHEMBL15498313 | VCH222 | VCH-222 | s...SMILES: CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)OInChIKey: WPMJNLCLKAKMLA-UHFFFAOYSA-NInChI: InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)
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2,6-Dichloro-4-nitroanisole
Cas Number: 17742-69-7Formula: C7H5Cl2NO3Molecular weight: 222.02Synonyms: D2872 | NSC-212118 | NSC212118 | AKOS005600597 | EC 403-350-6 | SCHEMBL2105879 | InChI=1/C7H5Cl2NO3/...SMILES: COC1=C(C=C(C=C1Cl)[N+](=O)[O-])ClInChIKey: GJYVJKPFYCKNEC-UHFFFAOYSA-NInChI: InChI=1S/C7H5Cl2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3
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4-Methoxyazobenzene
Formula: C13H12N2OMolecular weight: 212.25Synonyms: MFCD00039804 | p-Methoxyazobenzene | Azobenzene, 4-methoxy-, (E)- | EINECS 219-250-9 | (E)-1-(4-Meth...SMILES: COC1=CC=C(C=C1)N=NC2=CC=CC=C2InChIKey: LGCRPKOHRIXSEG-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3
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1-(4-METHOXY-PHENYL)-PYRROLIDIN-2-ONE
Cas Number: 30425-47-9Formula: C11H13NO2Molecular weight: 191.232Synonyms: 1-(4-Methoxyphenyl)pyrrolidin-2-one|30425-47-9|1-(4-methoxyphenyl)-2-pyrrolidinone|2-Pyrrolidinone, ...SMILES: COC1=CC=C(C=C1)N2CCCC2=OInChIKey: IDJCCRRYIMWLSQ-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO2/c1-14-10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
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Disodium Glutarate
Cas Number: 13521-83-0Formula: C5H6Na2O4Molecular weight: 176.08Synonyms: Q27285397 | Glutaric Acid Disodium Salt | D90710 | Glutaric acid sodium | AKOS025294368 | EINECS 250...SMILES: C(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]InChIKey: ZUDYLZOBWIAUPC-UHFFFAOYSA-LInChI: InChI=1S/C5H8O4.2Na/c6-4(7)2-1-3-5(8)9;;/h1-3H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
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Sodium 2-Amino-5-nitrobenzenesulfonate
Cas Number: 30693-53-9Formula: C6H5N2NaO5SMolecular weight: 240.16Synonyms: 2-Amino-5-nitrobenzenesulfonic Acid Sodium Salt | DTXSID4067567 | E76470 | VTMRGLXTSDVXAE-UHFFFAOYSA...SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])N.[Na+]InChIKey: VTMRGLXTSDVXAE-UHFFFAOYSA-MInChI: InChI=1S/C6H6N2O5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1
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trans,trans-2,4-Nonadienal
Formula: C9H14OMolecular weight: 138.21Synonyms: (2E,4E)-nona-2,4-dienal | 2,4-Nonadien-1-al | AI3-37786 | 2,4-Nonadienal, (2E,4E)- | trans,trans-2,4...SMILES: CCCCC=CC=CC=OInChIKey: ZHHYXNZJDGDGPJ-BSWSSELBSA-NInChI: InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+
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5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid
Cas Number: 171850-30-9Formula: C10H5Cl2NO3Molecular weight: 258.1Synonyms: 5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid|171850-30-9|5,7-dichloro-4-oxo-1H-quinoline-3-carb...SMILES: C1=C(C=C(C2=C1NC=C(C2=O)C(=O)O)Cl)ClInChIKey: DEBOCPZCSPMQBS-UHFFFAOYSA-NInChI: InChI=1S/C10H5Cl2NO3/c11-4-1-6(12)8-7(2-4)13-3-5(9(8)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
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ETHYL-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-AMINE
Cas Number: 30377-62-9Formula: C9H9F3N2O2Molecular weight: 234.179Synonyms: 30377-62-9|N-Ethyl-2-nitro-4-(trifluoromethyl)aniline|N-Ethyl-2-nitro-4-trifluoromethylaniline|Benze...SMILES: CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]InChIKey: XGYBRXYMSSZKPY-UHFFFAOYSA-NInChI: InChI=1S/C9H9F3N2O2/c1-2-13-7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5,13H,2H2,1H3
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α-Ionone (Isomer mixture)
Formula: C13H20OMolecular weight: 192.3Synonyms: .ALPHA.-IONONE [FHFI] | AI3-16056 | Cyclocitrylideneacetone, alpha- | alpha-Ionone, natural, >=86% |...SMILES: CC1=CCCC(C1C=CC(=O)C)(C)CInChIKey: UZFLPKAIBPNNCA-BQYQJAHWSA-NInChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
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Methyl 3-oxovalerate
Cas Number: 30414-53-0 EC Number: 250-184-3Formula: C6H10O3Molecular weight: 130.14Synonyms: F0001-0934 | Methyl 3-oxovalerate | methyl 3-oxo-valerate | 3-Ketovaleric Acid Methyl Ester | EC 250...SMILES: CCC(=O)CC(=O)OCInChIKey: XJMIXEAZMCTAGH-UHFFFAOYSA-NInChI: InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3
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4-sec-Butylaniline
Cas Number: 30273-11-1Formula: C10H15NMolecular weight: 149.24Synonyms: DTXSID00865535 | AC-11848 | EINECS 250-108-9 | FT-0619463 | DB06605 | GS-3260 | N-(4-sec-butyl-pheny...SMILES: CCC(C)C1=CC=C(C=C1)NInChIKey: NVVVQTNTLIAISI-UHFFFAOYSA-NInChI: InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3
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2-Chloro-6-methylpyridine-3-carboxylic acid
Cas Number: 30529-70-5 EC Number: 250-229-7Formula: C7H6ClNO2Molecular weight: 171.58Synonyms: InChI=1/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11 | TIMTEC-BB SBB003843 | UNII-6HJ6V3K...SMILES: CC1=NC(=C(C=C1)C(=O)O)ClInChIKey: ACQXHCHKMFYDPM-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11)
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2-Nitro-5-thiocyanatobenzoic Acid
Cas Number: 30211-77-9Formula: C8H4N2O4SMolecular weight: 224.19Synonyms: NTCB | T72255 | FT-0638910 | NQUNIMFHIWQQGJ-UHFFFAOYSA-N | SY074791 | N0516 | EINECS 250-093-9 | 5-(...SMILES: C1=CC(=C(C=C1SC#N)C(=O)O)[N+](=O)[O-]InChIKey: NQUNIMFHIWQQGJ-UHFFFAOYSA-NInChI: InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
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Sulindac sulfide
Cas Number: 49627-27-2 EC Number: 250-892-2, 256-403-9Formula: C20H17FO2SMolecular weight: 340.41Synonyms: 5-Fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-yl acetic acid | SCHEMBL2586650 | SMR001551689 ...SMILES: CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)OInChIKey: LFWHFZJPXXOYNR-MFOYZWKCSA-NInChI: InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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