General Information of the Compound
| Compound ID |
CP0565798
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| Compound Name |
2-[4-[[2,3-dimethyl-5-[[(1S)-2-methyl-1-(3-propan-2-ylphenyl)propyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C38H40N2O3
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| Molecular Weight |
572.749
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| Canonical SMILES |
CC(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/C38H40N2O3/c1-23(2)29-10-9-11-30(20-29)36(24(3)4)39-37(41)31-18-19-35-34(21-31)25(5)26(6)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)38(42)43/h7-21,23-24,36H,22H2,1-6H3,(H,39,41)(H,42,43)/t36-/m0/s1
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| InChIKey |
QJJCBPOUUSUGAD-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