General Information of the Compound
| Compound ID |
CP0425965
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| Compound Name |
2-[1-(1-Benzyl-piperidin-4-yl)-1H-pyrrol-2-ylmethylene]-malononitrile
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| Structure |
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| Formula |
C20H20N4
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| Molecular Weight |
316.408
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| Canonical SMILES |
N#CC(=Cc1cccn1C1CCN(Cc2ccccc2)CC1)C#N
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| InChI |
InChI=1S/C20H20N4/c21-14-18(15-22)13-20-7-4-10-24(20)19-8-11-23(12-9-19)16-17-5-2-1-3-6-17/h1-7,10,13,19H,8-9,11-12,16H2
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| InChIKey |
WHTUEKIFAXDIRP-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