General Information of the Compound
| Compound ID |
CP0554723
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| Compound Name |
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
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| Structure |
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| Formula |
C17H15ClN4
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| Molecular Weight |
310.788
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| Canonical SMILES |
Clc1ccc(cc1)-n1cc(CN2CCc3ccccc23)nn1
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| InChI |
InChI=1S/C17H15ClN4/c18-14-5-7-16(8-6-14)22-12-15(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2
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| InChIKey |
YSXYDZWBMDNGHX-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