General Information of the Compound
| Compound ID |
CP0437578
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| Compound Name |
(R)-1-[4-(4-Amino-butyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
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| Structure |
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| Formula |
C22H32F2N2O2
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| Molecular Weight |
394.506
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| Canonical SMILES |
NCCCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
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| InChI |
InChI=1S/C22H32F2N2O2/c23-21(24)12-9-19(16-21)22(28,18-7-2-1-3-8-18)20(27)26-14-10-17(11-15-26)6-4-5-13-25/h1-3,7-8,17,19,28H,4-6,9-16,25H2/t19-,22+/m1/s1
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| InChIKey |
DYVREFSXUJXDOE-KNQAVFIVSA-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