General Information of the Compound
| Compound ID |
CP0468337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R)-N-(3,5-dichlorophenyl)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
454.401
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKSFVLSIZNWGBG-UIDQEFQQSA-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