General Information of the Compound
| Compound ID |
CP0403169
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| Compound Name |
1-[[1-(4-tert-butylphenyl)triazol-4-yl]methyl]-5-chloro-2,3-dihydroindole
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| Structure |
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| Formula |
C21H23ClN4
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| Molecular Weight |
366.896
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1cc(CN2CCc3cc(Cl)ccc23)nn1
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| InChI |
InChI=1S/C21H23ClN4/c1-21(2,3)16-4-7-19(8-5-16)26-14-18(23-24-26)13-25-11-10-15-12-17(22)6-9-20(15)25/h4-9,12,14H,10-11,13H2,1-3H3
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| InChIKey |
RXZRKSDZWAPRME-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