General Information of the Compound
| Compound ID |
CP0527134
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| Compound Name |
3-Fluoro-5-(2-(pyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]-pyrazin-7(8H)-yl)benzonitrile
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| Structure |
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| Formula |
C17H13FN6
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| Molecular Weight |
320.331
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| Canonical SMILES |
Fc1cc(cc(c1)N1CCn2nc(nc2C1)-c1ccccn1)C#N
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| InChI |
InChI=1S/C17H13FN6/c18-13-7-12(10-19)8-14(9-13)23-5-6-24-16(11-23)21-17(22-24)15-3-1-2-4-20-15/h1-4,7-9H,5-6,11H2
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| InChIKey |
XFJPZYZCJVGULV-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