General Information of the Compound
| Compound ID |
CP0511254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[6-(Naphthalene-2-sulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N2O4S
|
||||||||||||||||||
| Molecular Weight |
448.544
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N2O4S/c28-25(29)13-14-27-23-8-4-3-7-21(23)22-16-19(10-12-24(22)27)26-32(30,31)20-11-9-17-5-1-2-6-18(17)15-20/h1-2,5-6,9-12,15-16,26H,3-4,7-8,13-14H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADRSGYIJQVGDKH-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