General Information of the Compound
| Compound ID |
CP0414408
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| Compound Name |
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
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| Structure |
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| Formula |
C18H21ClN4O
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| Molecular Weight |
344.846
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| Canonical SMILES |
Clc1ccc(CCNC(=O)[C@@H]2CCCN(C2)c2ncccn2)cc1
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| InChI |
InChI=1S/C18H21ClN4O/c19-16-6-4-14(5-7-16)8-11-20-17(24)15-3-1-12-23(13-15)18-21-9-2-10-22-18/h2,4-7,9-10,15H,1,3,8,11-13H2,(H,20,24)/t15-/m1/s1
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| InChIKey |
ZBEYWTQDHYHAQS-OAHLLOKOSA-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: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1