General Information of the Compound
| Compound ID |
CP0441822
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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]pyridine-3-sulfonamide
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| Structure |
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| Formula |
C19H15Cl2N9O2S
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| Molecular Weight |
504.363
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| Canonical SMILES |
Cc1nc(N)nc(n1)-c1cc(Cl)cnc1Nc1cnc(Cl)c(NS(=O)(=O)c2cccnc2)c1
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| InChI |
InChI=1S/C19H15Cl2N9O2S/c1-10-26-18(29-19(22)27-10)14-5-11(20)7-25-17(14)28-12-6-15(16(21)24-8-12)30-33(31,32)13-3-2-4-23-9-13/h2-9,30H,1H3,(H,25,28)(H2,22,26,27,29)
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| InChIKey |
ZANRJYMOJHGSLE-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