General Information of the Compound
| Compound ID |
CP0373605
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| Compound Name |
1-(4-Fluorophenyl)-4-[4-([2.2]paracyclophan-4-yl)-4-hydroxypiperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C31H34FNO2
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| Molecular Weight |
471.616
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| Canonical SMILES |
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc2CCc3ccc(CCc1cc2)cc3
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| InChI |
InChI=1S/C31H34FNO2/c32-28-15-13-27(14-16-28)30(34)2-1-19-33-20-17-31(35,18-21-33)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22,35H,1-2,7-9,11,17-21H2
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| InChIKey |
ZXZSMMMPXXEGFH-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