General Information of the Compound
| Compound ID |
CP0968189
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| Compound Name |
2-Chloro-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)-6-methoxy-[1,1'-biphenyl]-4-carboxylic Acid
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| Structure |
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| Formula |
C30H28ClF3N2O3
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| Molecular Weight |
557.012
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| Canonical SMILES |
COc1cc(C(=O)O)cc(Cl)c1-c1cc(F)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(C)(C)F)c(F)c1
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| InChI |
InChI=1S/C30H28ClF3N2O3/c1-15-9-19-18-7-5-6-8-23(18)35-27(19)28(36(15)14-30(2,3)34)26-21(32)11-16(12-22(26)33)25-20(31)10-17(29(37)38)13-24(25)39-4/h5-8,10-13,15,28,35H,9,14H2,1-4H3,(H,37,38)/t15-,28-/m1/s1
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| InChIKey |
NFRYJRRCBMYYCW-WQIZZMQYSA-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