General Information of the Compound
| Compound ID |
CP0501054
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| Compound Name |
2-amino-4-[5-chloro-2-[[6-chloro-5-[[2-methoxyethyl(methyl)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 |
C18H21Cl2N9O3S
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| Molecular Weight |
514.399
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| Canonical SMILES |
COCCN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl
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| InChI |
InChI=1S/C18H21Cl2N9O3S/c1-10-24-17(27-18(21)25-10)13-6-11(19)8-23-16(13)26-12-7-14(15(20)22-9-12)28-33(30,31)29(2)4-5-32-3/h6-9,28H,4-5H2,1-3H3,(H,23,26)(H2,21,24,25,27)
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| InChIKey |
GLCIVEQBDOXJQU-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