General Information of the Compound
| Compound ID |
CP0380079
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| Compound Name |
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] propanoate
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| Structure |
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| Formula |
C24H27ClFNO3
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| Molecular Weight |
431.935
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| Canonical SMILES |
CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H27ClFNO3/c1-2-23(29)30-24(19-7-9-20(25)10-8-19)13-16-27(17-14-24)15-3-4-22(28)18-5-11-21(26)12-6-18/h5-12H,2-4,13-17H2,1H3
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| InChIKey |
RXLUSIRPKRSPGO-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor