General Information of the Compound
| Compound ID |
CP0181946
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| Compound Name |
N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
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| Structure |
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| Formula |
C21H15F2N7O
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| Molecular Weight |
419.395
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| Canonical SMILES |
COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
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| InChI |
InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25)
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| InChIKey |
PITVIIACVFAXRK-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