General Information of the Compound
| Compound ID |
CP0170588
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| Compound Name |
2-[4-[[2,3-dimethyl-5-[(3-propan-2-ylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C35H34N2O3
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| Molecular Weight |
530.668
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| Canonical SMILES |
CC(C)c1cccc(CNC(=O)c2ccc3n(Cc4ccc(cc4)-c4ccccc4C(O)=O)c(C)c(C)c3c2)c1
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| InChI |
InChI=1S/C35H34N2O3/c1-22(2)28-9-7-8-26(18-28)20-36-34(38)29-16-17-33-32(19-29)23(3)24(4)37(33)21-25-12-14-27(15-13-25)30-10-5-6-11-31(30)35(39)40/h5-19,22H,20-21H2,1-4H3,(H,36,38)(H,39,40)
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| InChIKey |
LQAUHHSQKCNYRO-UHFFFAOYSA-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