General Information of the Compound
| Compound ID |
CP0471829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1E)-1-[8-[[4-(2-hydroxypropan-2-yl)-2-propylbenzimidazol-1-yl]methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H32N4O4
|
||||||||||||||||||
| Molecular Weight |
536.632
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2c(cccc2n1Cc1ccc2c(COc3ccccc3\C2=C(/C)c2noc(=O)[nH]2)c1)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32N4O4/c1-5-9-27-33-29-24(32(3,4)38)11-8-12-25(29)36(27)17-20-14-15-22-21(16-20)18-39-26-13-7-6-10-23(26)28(22)19(2)30-34-31(37)40-35-30/h6-8,10-16,38H,5,9,17-18H2,1-4H3,(H,34,35,37)/b28-19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFEMAPGJURPJNW-TURZUDJPSA-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