General Information of the Compound
| Compound ID |
CP0393315
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| Compound Name |
2-[3-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrol-2-ylmethylene]-malononitrile
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| Structure |
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| Formula |
C19H19N5
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| Molecular Weight |
317.396
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| Canonical SMILES |
N#CC(=Cc1[nH]ccc1CN1CCN(CC1)c1ccccc1)C#N
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| InChI |
InChI=1S/C19H19N5/c20-13-16(14-21)12-19-17(6-7-22-19)15-23-8-10-24(11-9-23)18-4-2-1-3-5-18/h1-7,12,22H,8-11,15H2
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| InChIKey |
JXPFVJLJUKGXQP-UHFFFAOYSA-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor