General Information of the Compound
| Compound ID |
CP0507226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-3-methylbutanoyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45N7O7
|
||||||||||||||||||
| Molecular Weight |
651.765
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H45N7O7/c1-4-46-33(45)38-18-16-37(17-19-38)32(44)29(22(2)3)35-30(42)25-20-28(40(36-25)24-12-6-5-7-13-24)47-21-27(41)39-15-9-14-26(39)31(43)34-23-10-8-11-23/h5-7,12-13,20,22-23,26,29H,4,8-11,14-19,21H2,1-3H3,(H,34,43)(H,35,42)/t26-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJAAHTPEVCAROF-WNJJXGMVSA-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