General Information of the Compound
| Compound ID |
CP0421648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)4-({[4-(Benzyloxy)6-phenylpyridin-2-yl]carbonyl}amino)5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N4O7
|
||||||||||||||||||
| Molecular Weight |
574.634
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N4O7/c1-2-41-24-19-26(23-11-7-4-8-12-23)32-27(20-24)29(38)33-25(13-14-28(36)37)30(39)34-15-17-35(18-16-34)31(40)42-21-22-9-5-3-6-10-22/h3-12,19-20,25H,2,13-18,21H2,1H3,(H,33,38)(H,36,37)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDHQXYDXBKLVKQ-VWLOTQADSA-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