General Information of the Compound
| Compound ID |
CP0414424
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| Compound Name |
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C18H20ClFN4O
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| Molecular Weight |
362.836
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| Canonical SMILES |
Fc1cnc(nc1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H20ClFN4O/c19-15-5-3-13(4-6-15)7-8-21-17(25)14-2-1-9-24(12-14)18-22-10-16(20)11-23-18/h3-6,10-11,14H,1-2,7-9,12H2,(H,21,25)/t14-/m1/s1
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| InChIKey |
KUTJEWYDBTYQNW-CQSZACIVSA-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