General Information of the Compound
| Compound ID |
CP0394250
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| Compound Name |
(Z)-1-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one
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| Structure |
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| Formula |
C21H22ClNO2
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| Molecular Weight |
355.865
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| Canonical SMILES |
O\C(=C/C(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H22ClNO2/c22-19-8-6-17(7-9-19)20(24)14-21(25)18-10-12-23(13-11-18)15-16-4-2-1-3-5-16/h1-9,14,18,24H,10-13,15H2/b20-14-
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| InChIKey |
IALFUNSVFHBTHD-ZHZULCJRSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor