General Information of the Compound
| Compound ID |
CP0148936
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| Compound Name |
2-[4-[[2,3-dimethyl-5-[[(1S)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C36H33F3N2O3
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| Molecular Weight |
598.665
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| Canonical SMILES |
CC(C)c1cccc(c1)[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)C(F)(F)F
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| InChI |
InChI=1S/C36H33F3N2O3/c1-21(2)26-8-7-9-27(18-26)33(36(37,38)39)40-34(42)28-16-17-32-31(19-28)22(3)23(4)41(32)20-24-12-14-25(15-13-24)29-10-5-6-11-30(29)35(43)44/h5-19,21,33H,20H2,1-4H3,(H,40,42)(H,43,44)/t33-/m0/s1
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| InChIKey |
HUWYEWSRWXKTAX-XIFFEERXSA-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