General Information of the Compound
| Compound ID |
CP0465755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(diethylamino)ethyl]-1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H51N3O3
|
||||||||||||||||||
| Molecular Weight |
513.767
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H51N3O3/c1-10-31(11-2,24-15-17-26(23(6)21-24)37-22-28(35)30(7,8)9)27-18-16-25(34(27)14-5)29(36)32-19-20-33(12-3)13-4/h15-18,21,28,35H,10-14,19-20,22H2,1-9H3,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMUCFXCNCANRBX-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
Protein ID: PT02378, Vitamin D3 receptor
Cell Viability or Cytotoxicity Assay