General Information of the Compound
| Compound ID |
CP0442160
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R)-3-(2-methylpropyl)-N'-[(3S)-2-oxo-1-[[3-(piperidin-1-ylamino)phenyl]methyl]azepan-3-yl]-2-propylbutanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H47N5O3
|
||||||||||||||||||
| Molecular Weight |
513.727
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(NN3CCCCC3)c2)C1=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H47N5O3/c1-4-11-24(27(30)35)25(18-21(2)3)28(36)31-26-14-6-9-15-33(29(26)37)20-22-12-10-13-23(19-22)32-34-16-7-5-8-17-34/h10,12-13,19,21,24-26,32H,4-9,11,14-18,20H2,1-3H3,(H2,30,35)(H,31,36)/t24-,25+,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWCYHFXPVUXQIQ-NXCFDTQHSA-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