General Information of the Compound
| Compound ID |
CP0526725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-methoxy-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N2O3S
|
||||||||||||||||||
| Molecular Weight |
412.555
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N2O3S/c1-16-8-11-19(12-9-16)29(26,27)25-21-13-10-18(28-4)14-20(21)23-17(15-24(2)3)6-5-7-22(23)25/h8-14,17H,5-7,15H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRGHAIWCFQUAFH-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