General Information of the Compound
| Compound ID |
CP0862520
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| Compound Name |
(E)-1-(2-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one oxime
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| Structure |
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| Formula |
C18H21ClN4O
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| Molecular Weight |
344.846
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| Canonical SMILES |
O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C18H21ClN4O/c19-16-6-2-1-5-15(16)17(21-24)8-10-22-11-13-23(14-12-22)18-7-3-4-9-20-18/h1-7,9,24H,8,10-14H2/b21-17+
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| InChIKey |
KBMINQNYZIHTHF-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