General Information of the Compound
| Compound ID |
CP0500925
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| Compound Name |
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloropyridin-2-yl]amino]-2-chloropyridin-3-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C16H16Cl2N8O2S
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| Molecular Weight |
455.331
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| Canonical SMILES |
CN(c1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl)S(C)(=O)=O
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| InChI |
InChI=1S/C16H16Cl2N8O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26(2)29(3,27)28/h4-7H,1-3H3,(H,21,24)(H2,19,22,23,25)
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| InChIKey |
MKRQPBYFQSHXDH-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