General Information of the Compound
| Compound ID |
CP0526547
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| Compound Name |
4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-chloro-5-(dimethylsulfamoylamino)pyridin-3-yl]amino]pyridin-3-yl]methyl]morpholine
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| Structure |
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| Formula |
C21H27ClN10O3S
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| Molecular Weight |
535.034
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1cc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cnc1Cl
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| InChI |
InChI=1S/C21H27ClN10O3S/c1-13-26-20(29-21(23)27-13)16-8-14(12-32-4-6-35-7-5-32)10-25-19(16)28-15-9-17(18(22)24-11-15)30-36(33,34)31(2)3/h8-11,30H,4-7,12H2,1-3H3,(H,25,28)(H2,23,26,27,29)
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| InChIKey |
ZMAXXRHYLSDAIN-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