Metabolites
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Lapatinib, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2Cas#: 231277-92-2 Compound CID: 208908Formula: C29H26ClFN4O4S Molecular Weight: 581.06IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amineSMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)ClInChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-NInChI: InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)Synonyms: EN300-117254 | Kinome_3685 | 231277-92-2 (free base) | D08108 | GSK 572016 | GTPL5692 | Lapatinib free base | N-(3-ch...
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4-Aminobutyric AcidCas#: 56-12-2Formula: C4H9NO2 Molecular Weight: 103.12IUPAC Name: 4-aminobutanoic acidSMILES: C(CC(=O)O)CNInChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)Synonyms: 3-Carboxypropylamine | 4-amino-n-butyric acid | butanoic acid, 4-amino- | EPA Pesticide Chemical Code 030802 | Gammal...
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GABACas#: 56-12-2Formula: C4H9NO2 Molecular Weight: 103.12IUPAC Name: 4-aminobutanoic acidSMILES: C(CC(=O)O)CNInChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)Synonyms: 3-Carboxypropylamine | 4-amino-n-butyric acid | butanoic acid, 4-amino- | EPA Pesticide Chemical Code 030802 | Gammal...
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γ-Aminobutyric acid, Agonist of GABA B1;Agonist of GABA B receptorCas#: 56-12-2Formula: C4H9NO2 Molecular Weight: 103.12IUPAC Name: 4-aminobutanoic acidSMILES: C(CC(=O)O)CNInChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)Synonyms: 4-aminobutyric acid|4-Aminobutanoic acid|gamma-aminobutyric acid|GABA|56-12-2|Piperidic acid|Piperidinic acid|Aminalo...
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octanol, Inhibitor of Cx23;Inhibitor of Cx25;Inhibitor of Cx26;Inhibitor of Cx30;Inhibitor of Cx30.2;Inhibitor of Cx30.3;Inhibitor of Cx31;Inhibitor of Cx31.1;Inhibitor of Cx31.9;Inhibitor of Cx32;Inhibitor of Cx36;Inhibitor of Cx37;Inhibitor of Cx40;Inhibitor ofCas#: 29063-28-3 Compound CID: 957IUPAC Name: octan-1-olSMILES: CCCCCCCCOInChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-NInChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3Synonyms: AI3-02169 | O0212 | OCTYL ALCOHOL [FCC] | Alcohol C8 | Alcohol C-8 | CS-0076037 | Dytol M-83 | Heptyl carbinol | 1-OC...
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pregnenolone sulphate, Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3Cas#: 1247-64-9 Compound CID: 105074IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfateSMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)CInChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-NInChI: InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1Synonyms: CMC_13403 | BDBM50503144 | UNII-04Y4D91RG0 | PREGS | Pregnenolone monosulfate | [3H]pregnenolone sulphate | LUZRJRNZX...
