General Information of the Compound
| Compound ID |
CP0414412
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| Compound Name |
(3R)-1-(4-methylpyrimidin-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C19H24N4O
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| Molecular Weight |
324.428
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| Canonical SMILES |
Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C19H24N4O/c1-15-9-11-21-19(22-15)23-13-5-8-17(14-23)18(24)20-12-10-16-6-3-2-4-7-16/h2-4,6-7,9,11,17H,5,8,10,12-14H2,1H3,(H,20,24)/t17-/m1/s1
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| InChIKey |
PFRXLDQEKSBHSA-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