General Information of the Compound
| Compound ID |
CP0542175
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| Compound Name |
4-(4-bromophenyl)-5-cyano-2H-1,2,3-triazole
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| Synonyms |
1119392-12-9
4-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE
4-(4-Bromophenyl)-1H-1,2,3-triazole-5-carbonitrile, AldrichCPR
4-(4-bromophenyl)-5-cyano-2H-1,2,3-triazole
5-(4-bromophenyl)-2H-triazole-4-carbonitrile
AC1O4QZZ
AKOS022169659
BDBM50200765
CHEMBL238828
CTK7C5822
KS-000029L0
MS-8537
MolPort-006-755-219
SCHEMBL4105736
ZINC6448351
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| Structure |
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| Formula |
C9H5BrN4
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| Molecular Weight |
249.071
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| Canonical SMILES |
Brc1ccc(cc1)-c1nn[nH]c1C#N
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| InChI |
InChI=1S/C9H5BrN4/c10-7-3-1-6(2-4-7)9-8(5-11)12-14-13-9/h1-4H,(H,12,13,14)
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| InChIKey |
SKCRCHJZYFYITH-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
Clinical Information about the Compound