General Information of the Compound
| Compound ID |
CP0523454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-4-hydroxybutanoyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H43N7O8
|
||||||||||||||||||
| Molecular Weight |
653.737
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H43N7O8/c1-2-46-32(45)37-17-15-36(16-18-37)31(44)24(13-19-40)34-29(42)25-20-28(39(35-25)23-10-4-3-5-11-23)47-21-27(41)38-14-7-12-26(38)30(43)33-22-8-6-9-22/h3-5,10-11,20,22,24,26,40H,2,6-9,12-19,21H2,1H3,(H,33,43)(H,34,42)/t24-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARBAHZWLLWIEGT-AHWVRZQESA-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