General Information of the Compound
| Compound ID |
CP0460989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3'-((1H-1,2,4-triazol-1-yl)methyl)-5'-(2-cyanopropan-2-yl)biphenyl-4-yl sulfamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N5O3S
|
||||||||||||||||||
| Molecular Weight |
397.46
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(OS(N)(=O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N5O3S/c1-19(2,11-20)17-8-14(10-24-13-22-12-23-24)7-16(9-17)15-3-5-18(6-4-15)27-28(21,25)26/h3-9,12-13H,10H2,1-2H3,(H2,21,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBKVGIKWABZDMT-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