General Information of the Compound
| Compound ID |
CP0196729
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| Compound Name |
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]benzoic acid
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| Structure |
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| Formula |
C27H31F3N2O3
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| Molecular Weight |
488.55
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| Canonical SMILES |
OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H31F3N2O3/c28-27(29,30)21-10-12-22(13-11-21)32-16-14-20(15-17-32)25(33)31-24-7-3-5-19(24)9-8-18-4-1-2-6-23(18)26(34)35/h1-2,4,6,10-13,19-20,24H,3,5,7-9,14-17H2,(H,31,33)(H,34,35)/t19-,24-/m0/s1
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| InChIKey |
UGEVSBDNQLQEOL-CYFREDJKSA-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