General Information of the Compound
| Compound ID |
CP0549236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-ethoxycarbonylphenyl) 1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H45NO6
|
||||||||||||||||||
| Molecular Weight |
563.735
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc(OC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H45NO6/c1-9-34(10-2,25-15-19-28(23(5)21-25)40-22-30(36)33(6,7)8)29-20-18-27(35(29)11-3)32(38)41-26-16-13-24(14-17-26)31(37)39-12-4/h13-21,30,36H,9-12,22H2,1-8H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJSOHZKSDYRBEP-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