General Information of the Compound
| Compound ID |
CP0502223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4S)-2-ethyl-3-methyl-N-phenyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N3O
|
||||||||||||||||||
| Molecular Weight |
385.511
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N3O/c1-3-22-18(2)24(26-19-12-6-4-7-13-19)21-16-10-11-17-23(21)28(22)25(29)27-20-14-8-5-9-15-20/h4-18,22,24,26H,3H2,1-2H3,(H,27,29)/t18-,22-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXHZGQGDNJFJIQ-XANCMCCPSA-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