General Information of the Compound
| Compound ID |
CP0411178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1E)-1-[8-[(4-cyclopropyl-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-5-yl)methyl]-3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H25FN4O4
|
||||||||||||||||||
| Molecular Weight |
536.563
|
||||||||||||||||||
| Canonical SMILES |
C\C(c1noc(=O)[nH]1)=C1\c2ccc(Cc3c(nc4c5CCOc5ccn34)C3CC3)cc2COc2cc(F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H25FN4O4/c1-16(29-34-31(37)40-35-29)27-21-6-2-17(12-19(21)15-39-26-14-20(32)5-7-22(26)27)13-24-28(18-3-4-18)33-30-23-9-11-38-25(23)8-10-36(24)30/h2,5-8,10,12,14,18H,3-4,9,11,13,15H2,1H3,(H,34,35,37)/b27-16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAFUDXKNRRZNLK-JVWAILMASA-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