General Information of the Compound
| Compound ID |
CP0862522
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| Compound Name |
(E)-1-(2-benzyloxy-5-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one oxime
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
Cc1ccc(OCc2ccccc2)c(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1
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| InChI |
InChI=1S/C26H30N4O2/c1-21-10-11-25(32-20-22-7-3-2-4-8-22)23(19-21)24(28-31)12-14-29-15-17-30(18-16-29)26-9-5-6-13-27-26/h2-11,13,19,31H,12,14-18,20H2,1H3/b28-24+
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| InChIKey |
SJLNUFQJFJWDEH-ZZIIXHQDSA-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