General Information of the Compound
| Compound ID |
CP0867225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl N-[4-[[(1R)-2-[(2S)-2-[4-[4-(4-benzamidophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]amino]-4-oxo-butyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H44N6O5
|
||||||||||||||||||
| Molecular Weight |
760.895
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCNC(=O)OCc1ccccc1)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(NC(=O)c4ccccc4)cc3)cc2)c[nH]1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H44N6O5/c53-41(19-10-28-47-46(56)57-31-32-12-4-1-5-13-32)51-42(36-14-6-2-7-15-36)45(55)52-29-11-18-40(52)43-48-30-39(50-43)35-22-20-33(21-23-35)34-24-26-38(27-25-34)49-44(54)37-16-8-3-9-17-37/h1-9,12-17,20-27,30,40,42H,10-11,18-19,28-29,31H2,(H,47,56)(H,48,50)(H,49,54)(H,51,53)/t40-,42+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RHOLZWMNEKQTPS-DUAROTRBSA-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