General Information of the Compound
| Compound ID |
CP0499598
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| Compound Name |
2-amino-4-[2-[[6-chloro-5-[[methyl(propan-2-yl)sulfamoyl]amino]pyridin-3-yl]amino]pyridin-3-yl]-6-methyl-1,3,5-triazine
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| Structure |
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| Formula |
C18H22ClN9O2S
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| Molecular Weight |
463.955
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| Canonical SMILES |
CC(C)N(C)S(=O)(=O)Nc1cc(Nc2ncccc2-c2nc(C)nc(N)n2)cnc1Cl
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| InChI |
InChI=1S/C18H22ClN9O2S/c1-10(2)28(4)31(29,30)27-14-8-12(9-22-15(14)19)25-16-13(6-5-7-21-16)17-23-11(3)24-18(20)26-17/h5-10,27H,1-4H3,(H,21,25)(H2,20,23,24,26)
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| InChIKey |
KRDRDADGCWRDPV-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