General Information of the Compound
| Compound ID |
CP0969666
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| Compound Name |
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)-[1,1'-biphenyl]-3-carboxylic Acid
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| Structure |
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| Formula |
C29H27F3N2O2
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| Molecular Weight |
492.541
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3cccc(C(=O)O)c3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C29H27F3N2O2/c1-16-11-21-20-9-4-5-10-24(20)33-26(21)27(34(16)15-29(2,3)32)25-22(30)13-19(14-23(25)31)17-7-6-8-18(12-17)28(35)36/h4-10,12-14,16,27,33H,11,15H2,1-3H3,(H,35,36)/t16-,27-/m1/s1
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| InChIKey |
IZELFNWCCWYGRX-CHAGWJKLSA-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