General Information of the Compound
| Compound ID |
CP0476046
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| Compound Name |
(R)-1-[4-(2-Amino-ethyl)-4-methyl-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
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| Structure |
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| Formula |
C21H30F2N2O2
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| Molecular Weight |
380.479
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| Canonical SMILES |
CC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
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| InChI |
InChI=1S/C21H30F2N2O2/c1-19(9-12-24)10-13-25(14-11-19)18(26)21(27,16-5-3-2-4-6-16)17-7-8-20(22,23)15-17/h2-6,17,27H,7-15,24H2,1H3/t17-,21+/m1/s1
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| InChIKey |
CXCOPHKFCPOFFH-UTKZUKDTSA-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