General Information of the Compound
| Compound ID |
CP0486613
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| Compound Name |
4-[5-(1-tert-butyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-1,2,4-oxadiazol-3-yl]benzonitrile
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| Structure |
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| Formula |
C19H20N6O
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| Molecular Weight |
348.41
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| Canonical SMILES |
CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C19H20N6O/c1-19(2,3)25-16-9-8-14(10-15(16)22-24-25)18-21-17(23-26-18)13-6-4-12(11-20)5-7-13/h4-7,14H,8-10H2,1-3H3
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| InChIKey |
JRDUPVUUUYSETR-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