General Information of the Compound
| Compound ID |
CP0303823
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[1-(2,6-Difluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21F2NO
|
||||||||||||||||||
| Molecular Weight |
401.456
|
||||||||||||||||||
| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4c(F)cccc4F)c3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21F2NO/c1-15-14-26(2,3)29-21-12-11-17-16-7-4-5-10-22(16)30-23(25(17)24(15)21)13-18-19(27)8-6-9-20(18)28/h4-14,29H,1-3H3/b23-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
REAASUOBXJQINY-QRVIBDJDSA-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: PT01172, Progesterone receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000044 | CV-1 | Chlorocebus aethiops (Green monkey) | 1 |
| 1 |
IC50 = 220 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|