General Information of the Compound
| Compound ID |
CP0474942
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| Compound Name |
2-[4-[[2,3-dimethyl-5-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C34H29F3N2O3
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| Molecular Weight |
570.611
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| Canonical SMILES |
C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C34H29F3N2O3/c1-20-22(3)39(19-23-11-13-24(14-12-23)28-9-4-5-10-29(28)33(41)42)31-16-15-26(18-30(20)31)32(40)38-21(2)25-7-6-8-27(17-25)34(35,36)37/h4-18,21H,19H2,1-3H3,(H,38,40)(H,41,42)/t21-/m0/s1
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| InChIKey |
CZVKLWAQRUDGMY-NRFANRHFSA-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