General Information of the Compound
Compound ID |
CP0965082
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Compound Name |
4-((3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)quinoxalin-2-yl)amino)benzonitrile
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Structure |
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Formula |
C26H22Cl2N6
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Molecular Weight |
489.41
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Canonical SMILES |
N#Cc1ccc(Nc2nc3ccccc3nc2N2CCN(Cc3cc(Cl)ccc3Cl)CC2)cc1
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InChI |
InChI=1S/C26H22Cl2N6/c27-20-7-10-22(28)19(15-20)17-33-11-13-34(14-12-33)26-25(30-21-8-5-18(16-29)6-9-21)31-23-3-1-2-4-24(23)32-26/h1-10,15H,11-14,17H2,(H,30,31)
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InChIKey |
CIEDROOIOWMRDC-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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