General Information of the Compound
| Compound ID |
CP0711276
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-[3-(4-(dimethylamino)benzylamino)propyl]-2-methylpropionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H39Cl2N5O4S
|
||||||||||||||||||
| Molecular Weight |
672.679
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNCc4ccc(N(C)C)cc4)c3Cl)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H39Cl2N5O4S/c1-22-10-13-24-8-6-9-28(31(24)38-22)44-21-26-27(34)16-17-29(30(26)35)45(42,43)39-33(2,3)32(41)37-19-7-18-36-20-23-11-14-25(15-12-23)40(4)5/h6,8-17,36,39H,7,18-21H2,1-5H3,(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPTWRNWTHQAXPI-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