General Information of the Compound
| Compound ID |
CP0398611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((4R,5R)-5-(biphenyl-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2-chlorobenzyloxy)phenyl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H29ClN2O7
|
||||||||||||||||||
| Molecular Weight |
601.055
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2ccccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H29ClN2O7/c34-26-12-6-4-10-23(26)19-41-24-16-14-21(15-17-24)18-28(33(39)40)36-32(38)30-29(42-20-43-30)31(37)35-27-13-7-5-11-25(27)22-8-2-1-3-9-22/h1-17,28-30H,18-20H2,(H,35,37)(H,36,38)(H,39,40)/t28-,29+,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUGRJWDDOOZFET-FRXPANAUSA-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