General Information of the Compound
| Compound ID |
CP0504268
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| Compound Name |
1-phenyl-3-(5-(pyrazin-2-yl)-1H-tetrazol-1-yl)propan-1-one
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| Structure |
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| Formula |
C14H12N6O
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| Molecular Weight |
280.291
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| Canonical SMILES |
O=C(CCn1nnnc1-c1cnccn1)c1ccccc1
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| InChI |
InChI=1S/C14H12N6O/c21-13(11-4-2-1-3-5-11)6-9-20-14(17-18-19-20)12-10-15-7-8-16-12/h1-5,7-8,10H,6,9H2
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| InChIKey |
IZIBNGIVQRRGGR-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