General Information of the Compound
| Compound ID |
CP0397881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(diethylamino)propyl]-1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H51N3O2
|
||||||||||||||||||
| Molecular Weight |
521.79
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H51N3O2/c1-9-32(38,10-2)22-21-27-17-18-28(25-26(27)8)33(11-3,12-4)30-20-19-29(36(30)15-7)31(37)34-23-16-24-35(13-5)14-6/h17-20,25,38H,9-16,23-24H2,1-8H3,(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROKUNQHDPNNBFU-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