General Information of the Compound
| Compound ID |
CP0891812
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| Compound Name |
(E)-1-(4-fluorophenyl)-3-(4-(3-isopropoxyphenyl)piperazin-1-yl)propan-1-one O-methyl oxime
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| Structure |
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| Formula |
C23H30FN3O2
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| Molecular Weight |
399.51
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| Canonical SMILES |
CO/N=C(\CCN1CCN(c2ccccc2OC(C)C)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H30FN3O2/c1-18(2)29-23-7-5-4-6-22(23)27-16-14-26(15-17-27)13-12-21(25-28-3)19-8-10-20(24)11-9-19/h4-11,18H,12-17H2,1-3H3/b25-21+
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| InChIKey |
WVVWYADPMHXTDM-NJNXFGOHSA-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: PT01161, D(4) dopamine receptor