General Information of the Compound
| Compound ID |
CP0425628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((S)-3-(((S)-1-((5-(Benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H41N6O8P
|
||||||||||||||||||
| Molecular Weight |
812.82
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1cc(cc(c1)-c1ccc(cc1)C#N)C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H41N6O8P/c1-28(2)20-39(50-44(54)40(49-42(52)34-16-10-31(26-46)11-17-34)21-29-12-18-38(19-13-29)58-59(55,56)57)43(53)48-37-23-35(33-14-8-30(25-45)9-15-33)22-36(24-37)41(51)47-27-32-6-4-3-5-7-32/h3-19,22-24,28,39-40H,20-21,27H2,1-2H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJFOCANYFVUXTR-ZAQUEYBZSA-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