General Information of the Compound
| Compound ID |
CP0380674
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| Compound Name |
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
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| Structure |
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| Formula |
C24H29F2N3O2
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| Molecular Weight |
429.511
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| Canonical SMILES |
O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
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| InChI |
InChI=1S/C24H29F2N3O2/c25-23(26)12-9-19(16-23)24(31,18-6-2-1-3-7-18)22(30)28-20-10-14-29(15-11-20)17-21-8-4-5-13-27-21/h1-8,13,19-20,31H,9-12,14-17H2,(H,28,30)/t19-,24+/m1/s1
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| InChIKey |
MTBIBWFHYCAYTO-DVECYGJZSA-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