General Information of the Compound
| Compound ID |
CP0437352
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| Compound Name |
(2R)-N-[1-[(5-aminopyridin-2-yl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
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| Structure |
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| Formula |
C24H30F2N4O2
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| Molecular Weight |
444.526
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| Canonical SMILES |
Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)nc1
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| InChI |
InChI=1S/C24H30F2N4O2/c25-23(26)11-8-18(14-23)24(32,17-4-2-1-3-5-17)22(31)29-20-9-12-30(13-10-20)16-21-7-6-19(27)15-28-21/h1-7,15,18,20,32H,8-14,16,27H2,(H,29,31)/t18-,24+/m1/s1
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| InChIKey |
YPRMCONKNHLNEC-KOSHJBKYSA-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