General Information of the Compound
| Compound ID |
CP0514457
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| Compound Name |
(4-fluorophenyl)-[3-(5-methylpyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
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| Structure |
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| Formula |
C18H16FN5O
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| Molecular Weight |
337.358
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| Canonical SMILES |
Cc1ccc(nc1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H16FN5O/c1-12-2-7-15(20-10-12)17-22-21-16-11-23(8-9-24(16)17)18(25)13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3
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| InChIKey |
VYOKXLPEPZLJFV-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