General Information of the Compound
Compound ID |
CP0848965
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Compound Name |
N-cyclopropyl-3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-5,7-dimethylquinoxalin-2-amine
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Structure |
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Formula |
C24H27Cl2N5
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Molecular Weight |
456.421
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Canonical SMILES |
Cc1cc(C)c2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
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InChI |
InChI=1S/C24H27Cl2N5/c1-15-11-16(2)22-21(12-15)28-23(27-19-4-5-19)24(29-22)31-9-7-30(8-10-31)14-17-13-18(25)3-6-20(17)26/h3,6,11-13,19H,4-5,7-10,14H2,1-2H3,(H,27,28)
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InChIKey |
YVPLTXSJBGZFNU-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