General Information of the Compound
| Compound ID |
CP0196752
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| Compound Name |
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C26H30F3N3O3
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| Molecular Weight |
489.538
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| Canonical SMILES |
OC(=O)c1cccnc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N3O3/c27-26(28,29)19-7-9-20(10-8-19)32-15-12-18(13-16-32)24(33)31-22-5-1-3-17(22)6-11-23-21(25(34)35)4-2-14-30-23/h2,4,7-10,14,17-18,22H,1,3,5-6,11-13,15-16H2,(H,31,33)(H,34,35)/t17-,22-/m0/s1
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| InChIKey |
DODWFRAMXPAEHC-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