General Information of the Compound
| Compound ID |
CP0376666
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| Compound Name |
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-1-[4-(2-piperidin-1-yl-ethyl)-piperidin-1-yl]-ethanone
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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)N1CCC(CCN2CCCCC2)CC1)c1ccccc1
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| InChI |
InChI=1S/C25H36F2N2O2/c26-24(27)13-9-22(19-24)25(31,21-7-3-1-4-8-21)23(30)29-17-11-20(12-18-29)10-16-28-14-5-2-6-15-28/h1,3-4,7-8,20,22,31H,2,5-6,9-19H2/t22-,25+/m1/s1
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| InChIKey |
BXSCQQSXYILOPY-RDGATRHJSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3