General Information of the Compound
| Compound ID |
CP0938800
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-aminopropyl)-2-[2,4-dichloro-3-(2,4-dimethylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30Cl2N4O4S
|
||||||||||||||||||
| Molecular Weight |
553.512
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCN)c3Cl)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30Cl2N4O4S/c1-15-13-16(2)30-23-17(15)7-5-8-20(23)35-14-18-19(26)9-10-21(22(18)27)36(33,34)31-25(3,4)24(32)29-12-6-11-28/h5,7-10,13,31H,6,11-12,14,28H2,1-4H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROSOSFPKUNKXOQ-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