General Information of the Compound
| Compound ID |
CP0864842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-(benzyloxy)benzamido)-N1-((S)-1-(2-chlorobenzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentylsuccinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H45ClN4O5
|
||||||||||||||||||
| Molecular Weight |
697.276
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H45ClN4O5/c1-40(2,3)27-43-36(46)24-35(45-37(47)30-19-21-32(22-20-30)50-26-29-14-8-5-9-15-29)39(49)44-34(23-18-28-12-6-4-7-13-28)38(48)42-25-31-16-10-11-17-33(31)41/h4-17,19-22,34-35H,18,23-27H2,1-3H3,(H,42,48)(H,43,46)(H,44,49)(H,45,47)/t34-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRHRVMBOLBGEJZ-PXLJZGITSA-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