General Information of the Compound
| Compound ID |
CP0330470
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| Compound Name |
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxypyridin-2-yl]amino]-2-chloropyridin-3-yl]morpholine-4-sulfonamide
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| Structure |
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| Formula |
C19H22ClN9O4S
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| Molecular Weight |
507.964
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| Canonical SMILES |
COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)c(c1)-c1nc(C)nc(N)n1
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| InChI |
InChI=1S/C19H22ClN9O4S/c1-11-24-18(27-19(21)25-11)14-8-13(32-2)10-23-17(14)26-12-7-15(16(20)22-9-12)28-34(30,31)29-3-5-33-6-4-29/h7-10,28H,3-6H2,1-2H3,(H,23,26)(H2,21,24,25,27)
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| InChIKey |
JQXMRKGWLJIJAG-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