General Information of the Compound
| Compound ID |
CP0476437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4-dimethyl-1,4-dihydropyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43N3O6
|
||||||||||||||||||
| Molecular Weight |
589.733
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)CN1C=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43N3O6/c1-22(2)43-31(39)20-37-19-28(23(3)32(24(37)4)34(41)42-21-26-13-9-6-10-14-26)33(40)36-29(17-25-11-7-5-8-12-25)30(38)18-35-27-15-16-27/h5-14,19,22-23,27,29-30,35,38H,15-18,20-21H2,1-4H3,(H,36,40)/t23?,29-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JADFFYUVUDGVFO-XSJQRQGXSA-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