General Information of the Compound
| Compound ID |
CP0967352
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| Compound Name |
3'-Chloro-5'-fluoro-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]-4-carboxylic Acid
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| Structure |
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| Formula |
C29H27ClF2N2O2
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| Molecular Weight |
508.996
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3ccc(C(=O)O)cc3)cc2Cl)N1CC(C)(C)F
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| InChI |
InChI=1S/C29H27ClF2N2O2/c1-16-12-21-20-6-4-5-7-24(20)33-26(21)27(34(16)15-29(2,3)32)25-22(30)13-19(14-23(25)31)17-8-10-18(11-9-17)28(35)36/h4-11,13-14,16,27,33H,12,15H2,1-3H3,(H,35,36)/t16-,27-/m1/s1
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| InChIKey |
BFNWNOMOVAVMFF-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