Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L52SDT
|
|||
| Ligand Name |
2-Bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-YL)amino]methyl}phenyl sulfamate
|
|||
| Synonyms |
STX-681; 4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE; 537674-89-8; 1xq0; 4TR; JMC503540 Compound 5; CHEMBL108483; SCHEMBL10062739; BDBM10020; dual aromatase-sulfatase inhibitor 7; DB04600; 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE; Q27095339; YM511-based dual aromatase-sulfatase inhibitor (DASI) 7; (2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C16H13BrN6O3S
|
|||
| Canonical SMILES |
C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)OS(=O)(=O)N)Br)N3C=NN=C3
|
|||
| InChI |
1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)
|
|||
| InChIKey |
GHDKYBCUDPSXGJ-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.