General Information of the Compound
| Compound ID |
CP0849239
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| Compound Name |
(E)-1-(2-hydroxy-5-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one oxime
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| Structure |
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| Formula |
C19H24N4O2
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| Molecular Weight |
340.427
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| Canonical SMILES |
Cc1ccc(O)c(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1
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| InChI |
InChI=1S/C19H24N4O2/c1-15-5-6-18(24)16(14-15)17(21-25)7-9-22-10-12-23(13-11-22)19-4-2-3-8-20-19/h2-6,8,14,24-25H,7,9-13H2,1H3/b21-17+
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| InChIKey |
ZWQOXMHVCXACBK-HEHNFIMWSA-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