General Information of the Compound
| Compound ID |
CP0958881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-(thiomorpholin-4-ylmethyl)biphenyl-4-carboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
508.087
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)c3ccc(-c4ccccc4)c(CN4CCSCC4)c3)cc21.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N3O2S.ClH/c1-30-26-18-24(10-7-21(26)9-12-27(30)32)29-28(33)22-8-11-25(20-5-3-2-4-6-20)23(17-22)19-31-13-15-34-16-14-31;/h2-8,10-11,17-18H,9,12-16,19H2,1H3,(H,29,33);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHHZCFKYMBQVQY-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