General Information of the Compound
Compound ID |
CP0381013
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Compound Name |
(2R)-N-[1-[[3-(aminomethyl)phenyl]methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
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Structure |
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Formula |
C26H33F2N3O2
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Molecular Weight |
457.565
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Canonical SMILES |
NCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
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InChI |
InChI=1S/C26H33F2N3O2/c27-25(28)12-9-22(16-25)26(33,21-7-2-1-3-8-21)24(32)30-23-10-13-31(14-11-23)18-20-6-4-5-19(15-20)17-29/h1-8,15,22-23,33H,9-14,16-18,29H2,(H,30,32)/t22-,26+/m1/s1
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InChIKey |
PQLJILRFRUEHRW-GJZUVCINSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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