General Information of the Compound
| Compound ID |
CP0058864
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| Compound Name |
2-[4-[[2,3-dimethyl-5-[[(1S)-3-methyl-1-(3-propan-2-ylphenyl)butyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C39H42N2O3
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| Molecular Weight |
586.776
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C(C)C
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| InChI |
InChI=1S/C39H42N2O3/c1-24(2)20-36(31-11-9-10-30(21-31)25(3)4)40-38(42)32-18-19-37-35(22-32)26(5)27(6)41(37)23-28-14-16-29(17-15-28)33-12-7-8-13-34(33)39(43)44/h7-19,21-22,24-25,36H,20,23H2,1-6H3,(H,40,42)(H,43,44)/t36-/m0/s1
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| InChIKey |
KDBITMBUICXATG-BHVANESWSA-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