General Information of the Compound
| Compound ID |
CP0374003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl sulfamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13N5O3S
|
||||||||||||||||||
| Molecular Weight |
355.379
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13N5O3S/c17-8-14-2-1-12(9-21-11-19-10-20-21)7-16(14)13-3-5-15(6-4-13)24-25(18,22)23/h1-7,10-11H,9H2,(H2,18,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSLZUVHJGUWMRX-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01255, Aromatase
Protein ID: PT01689, Steryl-sulfatase