General Information of the Compound
| Compound ID |
CP0496125
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| Compound Name |
3-[[4-[(2S)-2-[5-chloro-1-[3-(trifluoromethyl)phenyl]indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H28ClF3N2O4
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| Molecular Weight |
585.022
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| Canonical SMILES |
CCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C31H28ClF3N2O4/c1-2-4-21(15-19-7-9-20(10-8-19)30(41)36-14-13-28(38)39)29(40)27-17-22-16-24(32)11-12-26(22)37(27)25-6-3-5-23(18-25)31(33,34)35/h3,5-12,16-18,21H,2,4,13-15H2,1H3,(H,36,41)(H,38,39)/t21-/m0/s1
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| InChIKey |
PVSSSRUYJKXPKM-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