General Information of the Compound
| Compound ID |
CP0201007
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| Compound Name |
4-chloro-2-[[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]methylamino]benzoic acid
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| Structure |
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| Formula |
C26H29ClF3N3O3
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| Molecular Weight |
523.983
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| Canonical SMILES |
OC(=O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H29ClF3N3O3/c27-19-6-9-21(25(35)36)23(14-19)31-15-17-2-1-3-22(17)32-24(34)16-10-12-33(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22,31H,1-3,10-13,15H2,(H,32,34)(H,35,36)/t17-,22-/m0/s1
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| InChIKey |
LRJGQYODVLJLPJ-JTSKRJEESA-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