General Information of the Compound
| Compound ID |
CP0578972
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| Compound Name |
2-chloro-5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]benzenesulfonamide
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| Formula |
C22H17ClN6O3S
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| Molecular Weight |
480.937
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| Canonical SMILES |
COc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Nc2nc3ccccc3n3cnnc23)c1
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| InChI |
InChI=1S/C22H17ClN6O3S/c1-32-16-9-10-17(23)20(12-16)33(30,31)28-15-6-4-5-14(11-15)25-21-22-27-24-13-29(22)19-8-3-2-7-18(19)26-21/h2-13,28H,1H3,(H,25,26)
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| InChIKey |
QGTSHUBOQTYNQA-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