General Information of the Compound
| Compound ID |
CP0522269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[[(2S)-1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40N4O5S
|
||||||||||||||||||
| Molecular Weight |
580.751
|
||||||||||||||||||
| Canonical SMILES |
NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40N4O5S/c32-15-17-39-19-20-40-18-16-33-28(36)25(21-23-9-3-1-4-10-23)34-30(38)31(13-7-2-8-14-31)35-29(37)27-22-24-11-5-6-12-26(24)41-27/h1,3-6,9-12,22,25H,2,7-8,13-21,32H2,(H,33,36)(H,34,38)(H,35,37)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIIINXQERGVSIC-VWLOTQADSA-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