General Information of the Compound
| Compound ID |
CP0421011
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| Compound Name |
4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-phenyl-butan-1-one
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| Structure |
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| Formula |
C21H24ClNO2
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| Molecular Weight |
357.881
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| Canonical SMILES |
OC1(CCN(CCCC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2
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| InChIKey |
XMYBCDHWKUBJDW-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: PT01005, D(2) dopamine receptor
Protein ID: PT06171, G-protein coupled receptor homolog US28