General Information of the Compound
| Compound ID |
CP0087661
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| Compound Name |
2-chloro-4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
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| Structure |
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| Formula |
C17H11ClFN5O
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| Molecular Weight |
355.76
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| Canonical SMILES |
Oc1ccc(Cc2nnc3ncc(nn23)-c2ccc(F)cc2)cc1Cl
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| InChI |
InChI=1S/C17H11ClFN5O/c18-13-7-10(1-6-15(13)25)8-16-21-22-17-20-9-14(23-24(16)17)11-2-4-12(19)5-3-11/h1-7,9,25H,8H2
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| InChIKey |
WJLLMZPAVIWDNV-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