General Information of the Compound
| Compound ID |
CP0951498
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| Compound Name |
2-(cyclopropylamino)-3-(4-tosylpiperazin-1-yl)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C23H24N6O2S
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| Molecular Weight |
448.552
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C#N)ccc4nc3NC3CC3)CC2)cc1
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| InChI |
InChI=1S/C23H24N6O2S/c1-16-2-7-19(8-3-16)32(30,31)29-12-10-28(11-13-29)23-22(25-18-5-6-18)26-20-9-4-17(15-24)14-21(20)27-23/h2-4,7-9,14,18H,5-6,10-13H2,1H3,(H,25,26)
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| InChIKey |
KZBGESNXTYWAPO-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