General Information of the Compound
| Compound ID |
CP0456876
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| Compound Name |
4-[5-(1-tert-butyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-1,2,4-oxadiazol-3-yl]morpholine
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| Structure |
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| Formula |
C16H24N6O2
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| Molecular Weight |
332.408
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| Canonical SMILES |
CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)N1CCOCC1
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| InChI |
InChI=1S/C16H24N6O2/c1-16(2,3)22-13-5-4-11(10-12(13)18-20-22)14-17-15(19-24-14)21-6-8-23-9-7-21/h11H,4-10H2,1-3H3
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| InChIKey |
DOMGNCULJRFQNG-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