General Information of the Compound
| Compound ID |
CP0493913
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| Compound Name |
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(6-methyl-pyridin-2-ylmethyl)-piperidin-4-yl]-2-phenyl-acetamide
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| Structure |
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| Formula |
C25H31F2N3O2
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| Molecular Weight |
443.538
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| Canonical SMILES |
Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
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| InChI |
InChI=1S/C25H31F2N3O2/c1-18-6-5-9-22(28-18)17-30-14-11-21(12-15-30)29-23(31)25(32,19-7-3-2-4-8-19)20-10-13-24(26,27)16-20/h2-9,20-21,32H,10-17H2,1H3,(H,29,31)/t20-,25+/m1/s1
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| InChIKey |
HRBJAGYSTCJZLI-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