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PDK-1
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PS 48Cas Number: 1180676-32-7 Compound CID: 44141940Formula: C17H15ClO2 Molecular Weight: 286.76IUPAC Name: (Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acidSMILES: C1=CC=C(C=C1)C(=CC(=O)O)CCC2=CC=C(C=C2)ClInChIKey: LLJYFDRQFPQGNY-QINSGFPZSA-NInChI: InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-Synonyms: (Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
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PS210Cas Number: 1221962-86-2 Compound CID: 66760004Formula: C15H9N3O Molecular Weight: 247.25IUPAC Name: 2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acidSMILES: C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)OInChIKey: MLJPLHGJBUWCBA-UHFFFAOYSA-NInChI: InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)Synonyms: 2-[3-Oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]-propanedioic acid
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Polyphyllin ACas Number: 50773-41-6Formula: C44H70O16 Molecular Weight: 855.02IUPAC Name: show more
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1InChIKey: LRRDDWMXYOSKIC-IPKCVOQPSA-NInChI: show more Synonyms: polyphyllin D | diosgenyl α-L-rhamnopyranosyl-(1–2)-[β-L-ara-binofuranosyl-(1–4)-β-D-glucopyranoside] | polyphyllin I -
Polyphyllin ACas Number: 50773-41-6Formula: C44H70O16 Molecular Weight: 855.02IUPAC Name: show more
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1InChIKey: LRRDDWMXYOSKIC-IPKCVOQPSA-NInChI: show more Synonyms: polyphyllin D | diosgenyl α-L-rhamnopyranosyl-(1–2)-[β-L-ara-binofuranosyl-(1–4)-β-D-glucopyranoside] | polyphyllin I
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WAY-298630Cas Number: 303134-93-2Formula: C17H15FN2O3S Molecular Weight: 346.3760032SMILES: OC(=O)C[N]1C(=NC2=C1C=CC=C2)SCCOC3=CC=CC=C3F
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WAY-298630Cas Number: 303134-93-2Formula: C17H15FN2O3S Molecular Weight: 346.3760032SMILES: OC(=O)C[N]1C(=NC2=C1C=CC=C2)SCCOC3=CC=CC=C3F
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(+)-DehydroabietylamineCas Number: 1446-61-3Formula: C20H31N Molecular Weight: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1Synonyms: EPA Pesticide Chemical Code 004206 | 13-Isopropylpodocarpa-8,11,13-trien-15-amine | Amine D | ((1R,4aS,10aR)-7-Isopro...
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6-Bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrileCas Number: 1207836-10-9Formula: C9H6BrN3O Molecular Weight: 252.07IUPAC Name: 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrileSMILES: COC1=CC(=CN2C1=C(C=N2)C#N)BrInChIKey: JTEWRYBKHXGXHP-UHFFFAOYSA-NInChI: InChI=1S/C9H6BrN3O/c1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h2,4-5H,1H3
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PDK1-IN-RS2Cas Number: 1643958-89-7Formula: C15H9ClN2O2S3 Molecular Weight: 380.89SMILES: O=S(C1=CC2=CC=CC=C2S1)(NC3=NC4=CC=C(C=C4S3)Cl)=O
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PS47Cas Number: 1180676-33-8 Compound CID: 44141942Formula: C17H15O2Cl Molecular Weight: 286.75IUPAC Name: (E)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acidSMILES: C1=CC=C(C=C1)C(=CC(=O)O)CCC2=CC=C(C=C2)ClInChIKey: LLJYFDRQFPQGNY-NTCAYCPXSA-NInChI: InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12+
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MP7Cas Number: 1001409-50-2 Compound CID: 49766501Formula: C28H22F2N4O4 Molecular Weight: 516.50IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]pyridine-3-carboxamideSMILES: C1=CC=C(C=C1)C(COC2=CC3=C(C=C2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)CC5=CC(=C(C=C5)F)FInChIKey: GCWCGSPBENFEPE-VWLOTQADSA-NInChI: show more Synonyms: DTXSID90678515 | 1-(3,4-Difluorobenzyl)-2-Oxo-N-{(1r)-2-[(2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl)oxy]-1-Phenylethyl}-...
