General Information of the Compound
| Compound ID |
CP0942731
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3R,4S)-4-(benzylamino)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O2
|
||||||||||||||||||
| Molecular Weight |
386.495
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(=O)N2c3ccccc3[C@H](NCc3ccccc3)[C@@H](O)[C@H]2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O2/c1-17-12-14-20(15-13-17)25(29)27-18(2)24(28)23(21-10-6-7-11-22(21)27)26-16-19-8-4-3-5-9-19/h3-15,18,23-24,26,28H,16H2,1-2H3/t18-,23+,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVRQVVQGVPOWEI-DKLXNKCPSA-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