General Information of the Compound
| Compound ID |
CP0380680
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| Compound Name |
(2-fluorophenyl)-(3-pyridin-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 |
C17H14FN5O
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| Molecular Weight |
323.331
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| Canonical SMILES |
Fc1ccccc1C(=O)N1CCn2c(C1)nnc2-c1ccccn1
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| InChI |
InChI=1S/C17H14FN5O/c18-13-6-2-1-5-12(13)17(24)22-9-10-23-15(11-22)20-21-16(23)14-7-3-4-8-19-14/h1-8H,9-11H2
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| InChIKey |
VYHBXLMWDCTTBL-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