General Information of the Compound
| Compound ID |
CP0447335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H44N2O3
|
||||||||||||||||||
| Molecular Weight |
528.737
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCc1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H44N2O3/c1-8-33(38,9-2)22-21-27-15-16-28(23-25(27)6)34(10-3,11-4)31-20-19-30(36(31)12-5)32(37)35-24-26-13-17-29(39-7)18-14-26/h13-20,23,38H,8-12,24H2,1-7H3,(H,35,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTUNYPIGJREMMW-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