General Information of the Compound
| Compound ID |
CP0965479
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| Compound Name |
4-chloro-5-(4-(2-chloro-4-fluorophenoxy)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)pyridazin-3(2H)-one
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| Structure |
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| Formula |
C17H12Cl2FN5O2
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| Molecular Weight |
408.22
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| Canonical SMILES |
O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccc(F)cc3Cl)C2)c1Cl
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| InChI |
InChI=1S/C17H12Cl2FN5O2/c18-11-5-9(20)1-2-14(11)27-17-10-3-4-25(7-12(10)21-8-22-17)13-6-23-24-16(26)15(13)19/h1-2,5-6,8H,3-4,7H2,(H,24,26)
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| InChIKey |
DDIQWIYEKODANH-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