General Information of the Compound
| Compound ID |
CP0561596
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| Compound Name |
3-[5-amino-6-(2,5-dimethyltriazol-4-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C19H25N7O3S
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| Molecular Weight |
431.522
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| Canonical SMILES |
Cc1nn(C)nc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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| InChI |
InChI=1S/C19H25N7O3S/c1-11-6-7-13(30(28,29)22-10-19(3,4)27)8-14(11)15-9-21-18(20)17(23-15)16-12(2)24-26(5)25-16/h6-9,22,27H,10H2,1-5H3,(H2,20,21)
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| InChIKey |
GGTFXPVMZMFKFT-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