General Information of the Compound
| Compound ID |
CP0960904
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| Compound Name |
3',5'-Dichloro-4'-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3-methoxy-[1,1'-biphenyl]-4-carboxylic Acid
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| Structure |
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| Formula |
C30H29Cl2FN2O3
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| Molecular Weight |
555.477
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| Canonical SMILES |
COc1cc(-c2cc(Cl)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(Cl)c2)ccc1C(=O)O
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| InChI |
InChI=1S/C30H29Cl2FN2O3/c1-16-11-21-19-7-5-6-8-24(19)34-27(21)28(35(16)15-30(2,3)33)26-22(31)12-18(13-23(26)32)17-9-10-20(29(36)37)25(14-17)38-4/h5-10,12-14,16,28,34H,11,15H2,1-4H3,(H,36,37)/t16-,28-/m1/s1
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| InChIKey |
ARHJADXEINBCSF-WVDZOPJMSA-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