General Information of the Compound
| Compound ID |
CP0539804
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| Compound Name |
5,8-dimethyl-2-[2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrazine
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| Structure |
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| Formula |
C21H15F3N6O
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| Molecular Weight |
424.386
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| Canonical SMILES |
Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C21H15F3N6O/c1-11-10-25-12(2)20-28-18(29-30(11)20)13-7-8-15-16(9-13)27-19(26-15)14-5-3-4-6-17(14)31-21(22,23)24/h3-10H,1-2H3,(H,26,27)
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| InChIKey |
TUVLSGZPVHIGHX-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