General Information of the Compound
| Compound ID |
CP0366053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H49N3O4
|
||||||||||||||||||
| Molecular Weight |
539.761
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H49N3O4/c1-8-32(9-2,25-12-14-27(24(4)22-25)39-23-29(36)31(5,6)7)28-15-13-26(35(28)10-3)30(37)33-16-11-17-34-18-20-38-21-19-34/h12-15,22H,8-11,16-21,23H2,1-7H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYSKBELZBSAHAE-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
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000159 | L-02 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 310 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|