General Information of the Compound
| Compound ID |
CP0967997
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| Compound Name |
4-chloro-5-(4-(2-(trifluoromethyl)phenoxy)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)pyridazin-3(2H)-one
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| Structure |
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| Formula |
C18H13ClF3N5O2
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| Molecular Weight |
423.782
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| Canonical SMILES |
O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccccc3C(F)(F)F)C2)c1Cl
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| InChI |
InChI=1S/C18H13ClF3N5O2/c19-15-13(7-25-26-16(15)28)27-6-5-10-12(8-27)23-9-24-17(10)29-14-4-2-1-3-11(14)18(20,21)22/h1-4,7,9H,5-6,8H2,(H,26,28)
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| InChIKey |
DAAVXHCBMFIHTB-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