General Information of the Compound
| Compound ID |
CP0000961
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| Compound Name |
3-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-benzonitrile
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| Structure |
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| Formula |
C14H8N4O
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| Molecular Weight |
248.245
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| Canonical SMILES |
N#Cc1cccc(c1)-c1nc(no1)-c1ccccn1
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| InChI |
InChI=1S/C14H8N4O/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12/h1-8H
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| InChIKey |
KZOBYFBUONCLFZ-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