General Information of the Compound
| Compound ID |
CP0393457
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| Compound Name |
(2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
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| Structure |
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| Formula |
C26H38F2N2O2
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| Molecular Weight |
448.598
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| Canonical SMILES |
O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(CC2CCCCCC2)CC1)c1ccccc1
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| InChI |
InChI=1S/C26H38F2N2O2/c27-25(28)15-12-22(18-25)26(32,21-10-6-3-7-11-21)24(31)29-23-13-16-30(17-14-23)19-20-8-4-1-2-5-9-20/h3,6-7,10-11,20,22-23,32H,1-2,4-5,8-9,12-19H2,(H,29,31)/t22-,26+/m1/s1
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| InChIKey |
ANXXZECPSLPAFT-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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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