General Information of the Compound
| Compound ID |
CP0469752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-phenyl-1,4-dihydropyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H42N4O6S
|
||||||||||||||||||
| Molecular Weight |
658.821
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N1S(C)(=O)=O)c1ccccc1)C(=O)NOCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H42N4O6S/c1-24-32(35(42)38-30(21-26-13-7-4-8-14-26)31(41)22-37-29-19-20-29)34(28-17-11-6-12-18-28)33(25(2)40(24)47(3,44)45)36(43)39-46-23-27-15-9-5-10-16-27/h4-18,29-31,34,37,41H,19-23H2,1-3H3,(H,38,42)(H,39,43)/t30-,31+,34?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
APLQMRZTRIZQPN-ABKFLVSBSA-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