General Information of the Compound
| Compound ID |
CP0456874
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| Compound Name |
4-[5-(1-tert-butyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
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| Structure |
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| Formula |
C20H26N6O
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| Molecular Weight |
366.469
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C(C)(C)C
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| InChI |
InChI=1S/C20H26N6O/c1-20(2,3)26-17-11-8-14(12-16(17)22-24-26)19-21-18(23-27-19)13-6-9-15(10-7-13)25(4)5/h6-7,9-10,14H,8,11-12H2,1-5H3
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| InChIKey |
FCUQVHFTVGETGH-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