General Information of the Compound
| Compound ID |
CP0966891
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| Compound Name |
3'-Fluoro-4'-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic Acid
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| Structure |
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| Formula |
C30H30F2N2O3
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| Molecular Weight |
504.577
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| Canonical SMILES |
COc1cc(-c2ccc(C(=O)O)cc2)cc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F
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| InChI |
InChI=1S/C30H30F2N2O3/c1-17-13-22-21-7-5-6-8-24(21)33-27(22)28(34(17)16-30(2,3)32)26-23(31)14-20(15-25(26)37-4)18-9-11-19(12-10-18)29(35)36/h5-12,14-15,17,28,33H,13,16H2,1-4H3,(H,35,36)/t17-,28-/m1/s1
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| InChIKey |
UHWRGBXGFZNMKY-JYRCXFKTSA-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