General Information of the Compound
| Compound ID |
CP0467432
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40N4O6S
|
||||||||||||||||||
| Molecular Weight |
596.75
|
||||||||||||||||||
| Canonical SMILES |
CC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40N4O6S/c1-20-28(30(37)33-26(17-23-11-7-5-8-12-23)27(36)18-32-25-15-16-25)21(2)35(42(4,39)40)22(3)29(20)31(38)34-41-19-24-13-9-6-10-14-24/h5-14,20,25-27,32,36H,15-19H2,1-4H3,(H,33,37)(H,34,38)/t20?,26-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNJOYBDRTQWXKI-JWGNHWIISA-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