General Information of the Compound
| Compound ID |
CP0386790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32ClN3O2
|
||||||||||||||||||
| Molecular Weight |
490.047
|
||||||||||||||||||
| Canonical SMILES |
Cl.C[C@@H]1CCCN1Cc1cc(ccc1-c1ccccc1)C(=O)Nc1ccc2CCC(=O)N(C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N3O2.ClH/c1-20-7-6-16-32(20)19-24-17-23(11-14-26(24)21-8-4-3-5-9-21)29(34)30-25-13-10-22-12-15-28(33)31(2)27(22)18-25;/h3-5,8-11,13-14,17-18,20H,6-7,12,15-16,19H2,1-2H3,(H,30,34);1H/t20-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYNMAXVDLFXDJO-VEIFNGETSA-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