General Information of the Compound
| Compound ID |
CP0523845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
10-(benzenesulfonyl)-N-cycloheptyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N5O2S2
|
||||||||||||||||||
| Molecular Weight |
427.555
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1nnn2c3ccsc3c(NC3CCCCCC3)nc12)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N5O2S2/c26-29(27,15-10-6-3-7-11-15)20-19-22-18(21-14-8-4-1-2-5-9-14)17-16(12-13-28-17)25(19)24-23-20/h3,6-7,10-14H,1-2,4-5,8-9H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYYUBMJBIGDQNC-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