General Information of the Compound
| Compound ID |
CP0231207
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| Compound Name |
2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C34H32N2O3
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| Molecular Weight |
516.641
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| Canonical SMILES |
C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(C)cc1
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| InChI |
InChI=1S/C34H32N2O3/c1-21-9-13-26(14-10-21)23(3)35-33(37)28-17-18-32-31(19-28)22(2)24(4)36(32)20-25-11-15-27(16-12-25)29-7-5-6-8-30(29)34(38)39/h5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39)/t23-/m0/s1
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| InChIKey |
AEWGUDVDOUFPTB-QHCPKHFHSA-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