General Information of the Compound
| Compound ID |
CP0967900
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| Compound Name |
5-((3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)amino)-thiazole-2-carboxylic Acid
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| Structure |
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| Formula |
C26H25F3N4O2S
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| Molecular Weight |
514.573
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(Nc3cnc(C(=O)O)s3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C26H25F3N4O2S/c1-13-8-16-15-6-4-5-7-19(15)32-22(16)23(33(13)12-26(2,3)29)21-17(27)9-14(10-18(21)28)31-20-11-30-24(36-20)25(34)35/h4-7,9-11,13,23,31-32H,8,12H2,1-3H3,(H,34,35)/t13-,23-/m1/s1
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| InChIKey |
CQQRNRUURFSUDJ-JCQPUDPBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound