General Information of the Compound
| Compound ID |
CP0087662
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| Compound Name |
6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
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| Structure |
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| Formula |
C18H14FN5O
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| Molecular Weight |
335.342
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| Canonical SMILES |
COc1ccc(Cc2nnc3ncc(nn23)-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C18H14FN5O/c1-25-15-8-2-12(3-9-15)10-17-21-22-18-20-11-16(23-24(17)18)13-4-6-14(19)7-5-13/h2-9,11H,10H2,1H3
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| InChIKey |
SNSVJKJUAALDJX-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