General Information of the Compound
| Compound ID |
CP0480983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-[(1-ethoxycarbonylpiperidin-4-yl)amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H45N7O9
|
||||||||||||||||||
| Molecular Weight |
695.774
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CC1)NC(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H45N7O9/c1-2-49-34(48)39-18-15-23(16-19-39)35-31(45)25(13-14-30(43)44)37-32(46)26-20-29(41(38-26)24-10-4-3-5-11-24)50-21-28(42)40-17-7-12-27(40)33(47)36-22-8-6-9-22/h3-5,10-11,20,22-23,25,27H,2,6-9,12-19,21H2,1H3,(H,35,45)(H,36,47)(H,37,46)(H,43,44)/t25-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUFWUUHBGQZSBC-BDYUSTAISA-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