General Information of the Compound
| Compound ID |
CP0112227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-N'-(2,2-dimethylpropyl)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]butanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H37ClN6O5
|
||||||||||||||||||
| Molecular Weight |
645.16
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJQBIIJYQRCLSH-NSOVKSMOSA-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