General Information of the Compound
| Compound ID |
CP0452747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-6-hydroxyhexanoyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H47N7O8
|
||||||||||||||||||
| Molecular Weight |
681.791
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCCCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H47N7O8/c1-2-48-34(47)39-19-17-38(18-20-39)33(46)26(14-6-7-21-42)36-31(44)27-22-30(41(37-27)25-12-4-3-5-13-25)49-23-29(43)40-16-9-15-28(40)32(45)35-24-10-8-11-24/h3-5,12-13,22,24,26,28,42H,2,6-11,14-21,23H2,1H3,(H,35,45)(H,36,44)/t26-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODBAAHFXGCBHDI-XCZPVHLTSA-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