General Information of the Compound
| Compound ID |
CP0442447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(3-dimethylamino-propyl)-methyl-amino]-6-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid(4-morpholin-4-yl-phenyl)amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N5O4
|
||||||||||||||||||
| Molecular Weight |
493.608
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N(C)CCCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N5O4/c1-30(2)10-5-11-31(3)24-17-21(35-4)16-22-25(33)18-23(29-26(22)24)27(34)28-19-6-8-20(9-7-19)32-12-14-36-15-13-32/h6-9,16-18H,5,10-15H2,1-4H3,(H,28,34)(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBCWMRWOZSFMJR-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