General Information of the Compound
| Compound ID |
CP0096228
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| Compound Name |
4-{[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridazin-3-yl]methoxy}-7-methoxyquinoline
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| Structure |
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| Formula |
C22H15F2N5O2
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| Molecular Weight |
419.391
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| Canonical SMILES |
COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
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| InChI |
InChI=1S/C22H15F2N5O2/c1-30-16-2-3-17-19(11-16)25-7-6-20(17)31-12-22-27-26-21-5-4-18(28-29(21)22)13-8-14(23)10-15(24)9-13/h2-11H,12H2,1H3
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| InChIKey |
VGGVRYBMGLIVTI-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