General Information of the Compound
| Compound ID |
CP0469303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethyl-N-prop-2-ynylpyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N2O3
|
||||||||||||||||||
| Molecular Weight |
450.623
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N2O3/c1-9-17-29-26(32)22-14-16-24(30(22)12-4)28(10-2,11-3)21-13-15-23(20(5)18-21)33-19-25(31)27(6,7)8/h1,13-16,18H,10-12,17,19H2,2-8H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJIIHFPHPVUYOX-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