General Information of the Compound
| Compound ID |
CP0485218
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| Compound Name |
1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea
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| Synonyms |
1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea
1-(2-Bromophenyl)-3-(4-cyano-1H-benzo[d][1,2,3]triazol-7-yl)urea
211096-49-0
9P785F0579
AKOS024457259
BCP28242
BDBM50102222
CHEMBL38182
CTK8E9340
DTXSID10175339
J-013849
KB-80496
MolPort-019-939-274
MolPort-044-561-465
N-(2-BROMOPHENYL)-N'-(7-CYANO-1H-BENZOTRIAZOL-4-YL)UREA
NCGC00242491-01
NCGC00242491-02
RT-015648
SB 265610
SB-265610
SB265610, >
SCHEMBL1535925
UNII-9P785F0579
Urea, N-(2-bromophenyl)-N'-(4-cyano-1H-be
ZINC603064
sb265610
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| Structure |
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| Formula |
C14H9BrN6O
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| Molecular Weight |
357.171
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| Canonical SMILES |
Brc1ccccc1NC(=O)Nc1ccc(C#N)c2nn[nH]c12
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| InChI |
InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
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| InChIKey |
SEDUMQWZEOMXSO-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