General Information of the Compound
| Compound ID |
CP0930985
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| Compound Name |
4-chloro-5-(4-((4-fluoro-2-(trifluoromethyl)phenyl)(2-hydroxyethyl)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 |
C20H17ClF4N6O2
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| Molecular Weight |
484.841
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| Canonical SMILES |
O=c1[nH]ncc(N2CCc3c(ncnc3N(CCO)c3ccc(F)cc3C(F)(F)F)C2)c1Cl
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| InChI |
InChI=1S/C20H17ClF4N6O2/c21-17-16(8-28-29-19(17)33)30-4-3-12-14(9-30)26-10-27-18(12)31(5-6-32)15-2-1-11(22)7-13(15)20(23,24)25/h1-2,7-8,10,32H,3-6,9H2,(H,29,33)
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| InChIKey |
LZRQJWKYBJTRGG-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