General Information of the Compound
| Compound ID |
CP0372355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3,4-dimethylphenyl)methyl]-3-{[1-(4-methanesulfonamidophenyl)cyclopropyl]formamido}propyl 2,2-dimethylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N2O5S
|
||||||||||||||||||
| Molecular Weight |
514.688
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CC(CNC(=O)C2(CC2)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N2O5S/c1-19-7-8-21(15-20(19)2)16-22(18-35-26(32)27(3,4)5)17-29-25(31)28(13-14-28)23-9-11-24(12-10-23)30-36(6,33)34/h7-12,15,22,30H,13-14,16-18H2,1-6H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXTIQQLCXJJMIN-UHFFFAOYSA-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