General Information of the Compound
| Compound ID |
CP0553313
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| Compound Name |
2-amino-4-[2-[[6-chloro-5-(dimethylsulfamoylamino)pyridin-3-yl]amino]pyridin-3-yl]-6-methyl-1,3,5-triazine
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| Structure |
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| Formula |
C16H18ClN9O2S
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| Molecular Weight |
435.901
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1cc(Nc2ncccc2-c2nc(C)nc(N)n2)cnc1Cl
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| InChI |
InChI=1S/C16H18ClN9O2S/c1-9-21-15(24-16(18)22-9)11-5-4-6-19-14(11)23-10-7-12(13(17)20-8-10)25-29(27,28)26(2)3/h4-8,25H,1-3H3,(H,19,23)(H2,18,21,22,24)
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| InChIKey |
BRCRBCBCOVSRKR-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