General Information of the Compound
| Compound ID |
CP0176066
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| Compound Name |
4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
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| Structure |
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| Formula |
C18H13FN4O
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| Molecular Weight |
320.327
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| Canonical SMILES |
Oc1ccc(Cc2nnc3ccc(nn23)-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C18H13FN4O/c19-14-5-3-13(4-6-14)16-9-10-17-20-21-18(23(17)22-16)11-12-1-7-15(24)8-2-12/h1-10,24H,11H2
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| InChIKey |
OEDWCZQOHLVVLK-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