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Search results for: '226-543-5'
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D-Glucitol, 1,5-anhydro-1-C-(5-(2-azulenylmethyl)-2-hydroxyphenyl)-, (1S)-, (2-hydroxyethyl)trimethylammonium (1:1) salt, Sodium/glucose cotransporter 2 inhibitor
Cas Number: 918802-70-7Formula: C28H37NO7Molecular weight: 499.6Synonyms: YM-543 | SCHEMBL4231628 | YM 543 | YM543 | AKOS040749819 | D-Glucitol, 1,5-anhydro-1-C-(5-(2-azuleny...SMILES: C[N+](C)(C)CCO.C1=CC=C2C=C(C=C2C=C1)CC3=CC(=C(C=C3)[O-])C4C(C(C(C(O4)CO)O)O)OInChIKey: UKOOBSDARBTSHN-NGOMLPPMSA-MInChI: See more
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PF-543, Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2
Cas Number: 1415562-82-1Formula: C27H31NO4SMolecular weight: 465.6Synonyms: PF-543|1415562-82-1|PF 543|Sphingosine Kinase 1 Inhibitor II|PF543|CHEMBL3134157|[(2R)-1-[[4-[[3-(be...SMILES: CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCCC3CO)CS(=O)(=O)C4=CC=CC=C4InChIKey: NPUXORBZRBIOMQ-RUZDIDTESA-NInChI: InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
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2,6-Dimethyl-3-nitropyridine
Cas Number: 15513-52-7 EC Number: 239-543-5Formula: C7H8N2O2Molecular weight: 152.15Synonyms: 3-Nitro-2,6-lutidine, 97% | 2,6-Dimethyl-3-nitroypyridine | EINECS 239-543-5 | FT-0637236 | STL28053...SMILES: CC1=NC(=C(C=C1)[N+](=O)[O-])CInChIKey: AETHUDGJSSKZKT-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O2/c1-5-3-4-7(9(10)11)6(2)8-5/h3-4H,1-2H3
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DMP 543
Cas Number: 160588-45-4Formula: C26H18F2N2OMolecular weight: 412.44Synonyms: FT-0643556 | AC-28096 | BRD-K89274813-001-01-5 | NSC116211 | 9(10H)-Anthracenone, 10,10-bis[(2-fluor...SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC(=NC=C4)F)CC5=CC(=NC=C5)FInChIKey: MUJBUUDUXGDXLW-UHFFFAOYSA-NInChI: InChI=1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2
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α,α-Dibromotoluene
Cas Number: 618-31-5Formula: C7H6Br2Molecular weight: 249.93Synonyms: (Dibromomethyl)benzene|618-31-5|Benzal bromide|alpha,alpha-Dibromotoluene|DIBROMOMETHYLBENZENE|Benze...SMILES: C1=CC=C(C=C1)C(Br)BrInChIKey: VCJZTATVUDMNLU-UHFFFAOYSA-NInChI: InChI=1S/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
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2-Methoxy-5-nitropyridine
Cas Number: 5446-92-4Formula: C6H6N2O3Molecular weight: 154.13Synonyms: NSC 5555 | EINECS 226-661-7 | FT-0612809 | Atarax | SCHEMBL1851173 | DTXSID80202868 | A7913 | BCP231...SMILES: COC1=NC=C(C=C1)[N+](=O)[O-]InChIKey: WUPLOZFIOAEYMG-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2O3/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3
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(2S-cis)-(−)-5-Benzyl-3,6-dioxo-2-piperazineacetic acid
Formula: C13H14N2O4Molecular weight: 262.26Synonyms: NCGC00160216-01 | ZM82VP15YJ | 2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid | (2S,5S)-5-B...SMILES: C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC(=O)OInChIKey: VNHJXYUDIBQDDX-UWVGGRQHSA-NInChI: InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
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2-Iodo-5-nitrotoluene
Formula: IC6H4(CH3)NO2Molecular weight: 263.03Synonyms: SCHEMBL527700 | SY016397 | 2-Iodo-5-nitrotoluene | EN300-7065625 | A829482 | AC1338 | Benzene, 1-iod...SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])IInChIKey: ARJHCXYRCLMLQN-UHFFFAOYSA-NInChI: InChI=1S/C7H6INO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
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5-Nitroindazole
Formula: C7H5N3O2Molecular weight: 163.13Synonyms: 3-[(2-THIENYLTHIO)METHYL]BENZOICACID | INDAZOLE, 5-NITRO- | N0398 | NSC5032 | NSC-5032 | SMR00030699...SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=NN2InChIKey: WSGURAYTCUVDQL-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
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Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde
Formula: C8H10OMolecular weight: 122.16Synonyms: Bicyclo[2.2.1]-5-hepten-2-yl-methanal | 5-Norbornene-2-carbaldehyde | 0H73O2AC36 | EINECS 226-698-9 ...SMILES: C1C2CC(C1C=C2)C=OInChIKey: AJIBZRIAUXVGQJ-UHFFFAOYSA-NInChI: InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2
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5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
Cas Number: 5285-18-7Formula: C12H10O4Molecular weight: 218.21Synonyms: 5-(1,3-benzodioxol-5-yl)-2,4-pentadienoic acid | Piperonic acid | DTXSID40871913 | NSC 129538 | 2,4-...SMILES: C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)OInChIKey: RHBGITBPARBDPH-UHFFFAOYSA-NInChI: InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)
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Cis-4-Phenylcyclohexan-1-ol
Cas Number: 7335-12-8 EC Number: 227-295-0, 230-841-0, 226-613-5Formula: C12H16OMolecular weight: 176.25Synonyms: CCG-356380 | NSC16118 | 4-phenyl-cyclohexan-1-ol | 4-Phenylcyclohexan-1-ol | cis-4-phenylcyclohexano...SMILES: C1CC(CCC1C2=CC=CC=C2)OInChIKey: YVVUSIMLVPJXMY-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
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Hetacillin potassium, Penicillin-binding protein inhibitor
Cas Number: 26939-80-0Formula: C19H22KN3O4SMolecular weight: 427.6Synonyms: HETACILLIN POTASSIUM | HETACILLIN POTASSIUM [GREEN BOOK] | 4-Thia-1-azabicyclo(3.2.0)heptane-2-carbo...SMILES: CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]InChIKey: QRSPJBLLJXVPDD-XFAPPKAWSA-MInChI: InChI=1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
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5-Bromovaleronitrile
Formula: C5H8BrNMolecular weight: 162.03Synonyms: FT-0620184 | DS-6416 | 1-bromo-4-cyanobutane | 1-bromo-4-cyano-butane | 3,4-Dihydro-4-methyl-1(2H)-n...SMILES: C(CCBr)CC#NInChIKey: NWWWGAKVHCSAEU-UHFFFAOYSA-NInChI: InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2
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Cyclobutyl Phenyl Ketone
Cas Number: 5407-98-7Formula: C11H12OMolecular weight: 160.22Synonyms: DTXCID9028176 | EN300-82990 | Cyclobutyl phenyl ketone, 98% | NCGC00257510-01 | phenyl cyclobutyl ke...SMILES: C1CC(C1)C(=O)C2=CC=CC=C2InChIKey: MVEBDOSCXOQNAR-UHFFFAOYSA-NInChI: InChI=1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
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4-Phenylcyclohexanol
Cas Number: 5437-46-7 EC Number: ‘226-613-5; 230-841-0; 227-295-0Formula: C12H16OMolecular weight: 176.25Synonyms: CCG-356380 | NSC16118 | 4-phenyl-cyclohexan-1-ol | 4-Phenylcyclohexan-1-ol | cis-4-phenylcyclohexano...SMILES: C1CC(CCC1C2=CC=CC=C2)OInChIKey: YVVUSIMLVPJXMY-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
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3-Bromo-4-chlorobenzotrifluoride
Formula: C7H3BrClF3Molecular weight: 259.45Synonyms: EN300-266447 | Benzene, 2-bromo-1-chloro-4-(trifluoromethyl)- | EINECS 207-226-0 | FT-0615147 | MFCD...SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)ClInChIKey: APSISOSWYXCEQX-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
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1-(2-Phenylethyl)piperazine
Cas Number: 5321-49-3Formula: C12H18N2Molecular weight: 190.28Synonyms: 1-(2-Phenylethyl)piperazine|1-Phenethylpiperazine|5321-49-3|1-(2-PHENYLETHYL)-PIPERAZINE|MFCD0004074...SMILES: C1CN(CCN1)CCC2=CC=CC=C2InChIKey: LKUAPSRIYZLAAO-UHFFFAOYSA-NInChI: InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2
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Neutral red
Cas Number: 553-24-2Formula: C15H17CIN4Molecular weight: 288.78Synonyms: EINECS 209-035-8 | Phenazine, 3-amino-7-(dimethylamino)-2-methyl-, hydrochloride | NEUTRAL RED | C.I...SMILES: CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.ClInChIKey: PGSADBUBUOPOJS-UHFFFAOYSA-NInChI: InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H
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cis-2,4,5-Trimethoxy-1-propenylbenzene
Formula: C12H16O3Molecular weight: 208.25Synonyms: BCP23722 | 1,2,4-trimethoxy-5-propenylbenzene, z- | DTXCID00911420 | cis-2,4,5-Trimethoxy-1-propenyl...SMILES: CC=CC1=CC(=C(C=C1OC)OC)OCInChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-NInChI: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-
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3-(Trimethylsilyl)propargyl alcohol
Formula: C6H12OSiMolecular weight: 128.24Synonyms: 3-(Trimethylsilyl)-2-propyn-1-ol | 3-trimethylsilanyl-prop-2-yn-1-ol | SCHEMBL140849 | FT-0601962 | ...SMILES: C[Si](C)(C)C#CCOInChIKey: ZVGCJDPEKKEYES-UHFFFAOYSA-NInChI: InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3
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4-Chloro-2,6-dinitroaniline
Cas Number: 5388-62-5Formula: ClC6H2(NO2)2NH2Molecular weight: 217.57Synonyms: 4-Chloro-2,6-dinitroaniline | SCHEMBL2912091 | EINECS 226-381-5 | SR-01000025560-1 | Z56760365 | 4-c...SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])ClInChIKey: CLMQUEQFVUMDPC-UHFFFAOYSA-NInChI: InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2
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