General Information of the Compound
| Compound ID |
CP0460831
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid (7-chloro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-amide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H30ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
500.064
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30ClN3O3S/c27-20-11-12-22-19(14-20)10-13-24-23(22)15-25(29-24)30-26(31)18-8-6-17(7-9-18)16-28-34(32,33)21-4-2-1-3-5-21/h1-5,11-12,14,17-18,23-24,28H,6-10,13,15-16H2,(H,29,30,31)/t17-,18-,23?,24?
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYZWBNDZBMMCMT-YTFADCBGSA-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 | |||||||||||||||||||
| 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