General Information of the Compound
| Compound ID |
CP0534241
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| Compound Name |
1-[[1-(4-tert-butylphenyl)triazol-4-yl]methyl]-2,3-dihydroindole
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| Structure |
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| Formula |
C21H24N4
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| Molecular Weight |
332.451
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1cc(CN2CCc3ccccc23)nn1
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| InChI |
InChI=1S/C21H24N4/c1-21(2,3)17-8-10-19(11-9-17)25-15-18(22-23-25)14-24-13-12-16-6-4-5-7-20(16)24/h4-11,15H,12-14H2,1-3H3
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| InChIKey |
YPALQOYGSABOFG-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