General Information of the Compound
| Compound ID |
CP0522767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
10-(benzenesulfonyl)-N-(3,5-dimethyladamantan-1- yl)-5-thia-1,8,11,12- tetraazatricyclo[7.3.0.0^{2,6}]dodeca- 2(6),3,7,9,11-pentaen-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N5O2S2
|
||||||||||||||||||
| Molecular Weight |
493.658
|
||||||||||||||||||
| Canonical SMILES |
CC12CC3CC(C)(C1)CC(C3)(C2)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N5O2S2/c1-23-10-16-11-24(2,13-23)15-25(12-16,14-23)27-20-19-18(8-9-33-19)30-21(26-20)22(28-29-30)34(31,32)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVSCYWFISNESPC-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