General Information of the Compound
| Compound ID |
CP0457975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[(18Z)-13-hydroxy-12-methoxy-3,5,5-trimethyl-17-oxa-6-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2(7),3,8,11,13,15-heptaen-18-ylidene]methyl}thiophene-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22N2O3S
|
||||||||||||||||||
| Molecular Weight |
442.54
|
||||||||||||||||||
| Canonical SMILES |
COc1c(O)ccc2O\C(=C/c3sccc3C#N)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22N2O3S/c1-14-12-26(2,3)28-17-6-5-16-23(22(14)17)20(11-21-15(13-27)9-10-32-21)31-19-8-7-18(29)25(30-4)24(16)19/h5-12,28-29H,1-4H3/b20-11-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZIJLTBYAYIURJ-JAIQZWGSSA-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