General Information of the Compound
| Compound ID |
CP0448091
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| Compound Name |
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hydroxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
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| Structure |
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| Formula |
C25H30F2N2O3
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| Molecular Weight |
444.522
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| Canonical SMILES |
Oc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
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| InChI |
InChI=1S/C25H30F2N2O3/c26-24(27)12-9-20(16-24)25(32,19-6-2-1-3-7-19)23(31)28-21-10-13-29(14-11-21)17-18-5-4-8-22(30)15-18/h1-8,15,20-21,30,32H,9-14,16-17H2,(H,28,31)/t20-,25+/m1/s1
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| InChIKey |
SRNHSTWHMJIPBN-NLFFAJNJSA-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