General Information of the Compound
| Compound ID |
CP0862523
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| Compound Name |
(E)-2-[4-(3-hydroxyimino-3-phenylpropyl)piperazin-1-yl]nicotinonitrile
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
N#Cc1cccnc1N1CCN(CC/C(=N\O)c2ccccc2)CC1
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| InChI |
InChI=1S/C19H21N5O/c20-15-17-7-4-9-21-19(17)24-13-11-23(12-14-24)10-8-18(22-25)16-5-2-1-3-6-16/h1-7,9,25H,8,10-14H2/b22-18+
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| InChIKey |
UQKXNFUEBSXDBC-RELWKKBWSA-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