General Information of the Compound
Compound ID |
CP0380678
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Compound Name |
(2R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
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Structure |
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Formula |
C25H36F2N2O2
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Molecular Weight |
434.571
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Canonical SMILES |
O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(CC2CCCCC2)CC1)c1ccccc1
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InChI |
InChI=1S/C25H36F2N2O2/c26-24(27)14-11-21(17-24)25(31,20-9-5-2-6-10-20)23(30)28-22-12-15-29(16-13-22)18-19-7-3-1-4-8-19/h2,5-6,9-10,19,21-22,31H,1,3-4,7-8,11-18H2,(H,28,30)/t21-,25+/m1/s1
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InChIKey |
OBBYKKSLZDOMNB-BWKNWUBXSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3