General Information of the Compound
| Compound ID |
CP0127135
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| Compound Name |
1-tert-butyl-5-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzotriazole
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| Structure |
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| Formula |
C18H21FN6
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| Molecular Weight |
340.406
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| Canonical SMILES |
CC(C)(C)n1nnc2CC(CCc12)n1cnc(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H21FN6/c1-18(2,3)25-16-9-8-14(10-15(16)21-23-25)24-11-20-17(22-24)12-4-6-13(19)7-5-12/h4-7,11,14H,8-10H2,1-3H3
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| InChIKey |
GOFBHAFTRPSQBA-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