General Information of the Compound
| Compound ID |
CP0453190
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-Benzenesulfonyl-2,3,4,9-tetrahydro-1H-beta-carboline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N2O2S
|
||||||||||||||||||
| Molecular Weight |
312.394
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1ccccc1)n1c2CNCCc2c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N2O2S/c20-22(21,13-6-2-1-3-7-13)19-16-9-5-4-8-14(16)15-10-11-18-12-17(15)19/h1-9,18H,10-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMZJECXQVMYAFJ-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