General Information of the Compound
| Compound ID |
CP0437589
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| Compound Name |
2-{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrol-2-ylmethylene}-malononitrile
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| Structure |
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| Formula |
C19H18ClN5
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| Molecular Weight |
351.841
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(Cc2cc[nH]c2C=C(C#N)C#N)CC1
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| InChI |
InChI=1S/C19H18ClN5/c20-17-1-3-18(4-2-17)25-9-7-24(8-10-25)14-16-5-6-23-19(16)11-15(12-21)13-22/h1-6,11,23H,7-10,14H2
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| InChIKey |
RCACIEKJQOIDQV-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