General Information of the Compound
| Compound ID |
CP0384377
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| Compound Name |
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-(1-thiophen-3-ylmethyl-piperidin-4-yl)-acetamide
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| Structure |
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| Formula |
C23H28F2N2O2S
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| Molecular Weight |
434.552
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| Canonical SMILES |
O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C23H28F2N2O2S/c24-22(25)10-6-19(14-22)23(29,18-4-2-1-3-5-18)21(28)26-20-7-11-27(12-8-20)15-17-9-13-30-16-17/h1-5,9,13,16,19-20,29H,6-8,10-12,14-15H2,(H,26,28)/t19-,23+/m1/s1
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| InChIKey |
ZVVYAPAWNNSOSQ-XXBNENTESA-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