General Information of the Compound
| Compound ID |
CP0577568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H43N7O3S
|
||||||||||||||||||
| Molecular Weight |
593.798
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2cccnc2c1N1CCCN(CC1)C(CC(=O)NCCN1CCCC1)c1csc(n1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H43N7O3S/c1-40-27-8-7-24-6-4-9-33-29(24)30(27)37-14-5-13-36(16-17-37)26(22-28(39)32-10-15-35-11-2-3-12-35)25-23-42-31(34-25)38-18-20-41-21-19-38/h4,6-9,23,26H,2-3,5,10-22H2,1H3,(H,32,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUPJAMOHYJWOKK-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 | |||||||||||||||||||
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