General Information of the Compound
| Compound ID |
CP0382438
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| Compound Name |
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyridin-2-yl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C20H24ClN3O
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| Molecular Weight |
357.885
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| Canonical SMILES |
Cc1ccnc(c1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H24ClN3O/c1-15-8-10-22-19(13-15)24-12-2-3-17(14-24)20(25)23-11-9-16-4-6-18(21)7-5-16/h4-8,10,13,17H,2-3,9,11-12,14H2,1H3,(H,23,25)/t17-/m1/s1
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| InChIKey |
KKMBVOPXHIOLBE-QGZVFWFLSA-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
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1