General Information of the Compound
| Compound ID |
CP0417107
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(dimethylamino)ethyl]-1-ethyl-4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H45N3O2
|
||||||||||||||||||
| Molecular Weight |
479.709
|
||||||||||||||||||
| Canonical SMILES |
CCn1cc(cc1C(=O)NCCN(C)C)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H45N3O2/c1-9-29(35,10-2)17-16-24-14-15-25(20-23(24)6)30(11-3,12-4)26-21-27(33(13-5)22-26)28(34)31-18-19-32(7)8/h14-15,20-22,35H,9-13,18-19H2,1-8H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMTRIESBYMZKEO-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