General Information of the Compound
| Compound ID |
CP0959578
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| Compound Name |
2-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-3-(pyridin-3-ylamino)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C25H21Cl2N7
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| Molecular Weight |
490.398
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| Canonical SMILES |
N#Cc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(Nc3cccnc3)nc2c1
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| InChI |
InChI=1S/C25H21Cl2N7/c26-19-4-5-21(27)18(13-19)16-33-8-10-34(11-9-33)25-24(30-20-2-1-7-29-15-20)31-23-12-17(14-28)3-6-22(23)32-25/h1-7,12-13,15H,8-11,16H2,(H,30,31)
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| InChIKey |
SEIXCWMPGZMRBO-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