General Information of the Compound
| Compound ID |
CP0501106
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| Compound Name |
1-(4-chlorophenyl)-2-isopropoxymethyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
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| Structure |
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| Formula |
C23H31ClN4O2
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| Molecular Weight |
430.98
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| Canonical SMILES |
CO\N=C(/C(COC(C)C)CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H31ClN4O2/c1-18(2)30-17-20(23(26-29-3)19-7-9-21(24)10-8-19)16-27-12-14-28(15-13-27)22-6-4-5-11-25-22/h4-11,18,20H,12-17H2,1-3H3/b26-23-
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| InChIKey |
QJKTWDWXLNNHMK-RWEWTDSWSA-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