General Information of the Compound
| Compound ID |
CP0433507
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| Compound Name |
(1-methylpiperidin-4-yl) 3-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoate
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| Structure |
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| Formula |
C16H20F3NO3
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| Molecular Weight |
331.334
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| Canonical SMILES |
CN1CCC(CC1)OC(=O)C(CO)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H20F3NO3/c1-20-7-5-13(6-8-20)23-15(22)14(10-21)11-3-2-4-12(9-11)16(17,18)19/h2-4,9,13-14,21H,5-8,10H2,1H3
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| InChIKey |
WUBQAMJWWIKNOF-UHFFFAOYSA-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4