General Information of the Compound
| Compound ID |
CP0401177
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| Compound Name |
3-[[4-[2-[5-chloro-1-[4-methoxy-3-(trifluoromethyl)phenyl]indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H30ClF3N2O5
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| Molecular Weight |
615.048
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C32H30ClF3N2O5/c1-3-4-21(15-19-5-7-20(8-6-19)31(42)37-14-13-29(39)40)30(41)27-17-22-16-23(33)9-11-26(22)38(27)24-10-12-28(43-2)25(18-24)32(34,35)36/h5-12,16-18,21H,3-4,13-15H2,1-2H3,(H,37,42)(H,39,40)
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| InChIKey |
HYNCRNBGXDRESJ-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