General Information of the Compound
| Compound ID |
CP0969974
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| Compound Name |
4-chloro-5-(4-(methyl(4-(trifluoromethyl)pyridin-3-yl)amino)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)pyridazin-3(2H)-one
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| Structure |
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| Formula |
C18H15ClF3N7O
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| Molecular Weight |
437.813
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| Canonical SMILES |
CN(c1cnccc1C(F)(F)F)c1ncnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
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| InChI |
InChI=1S/C18H15ClF3N7O/c1-28(13-6-23-4-2-11(13)18(20,21)22)16-10-3-5-29(8-12(10)24-9-25-16)14-7-26-27-17(30)15(14)19/h2,4,6-7,9H,3,5,8H2,1H3,(H,27,30)
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| InChIKey |
INLQJRUVWZVKQZ-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