General Information of the Compound
| Compound ID |
CP0239053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2'-(5-chloro-2-fluoro-4-methylphenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18ClFN2O3
|
||||||||||||||||||
| Molecular Weight |
424.859
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)c(C)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18ClFN2O3/c1-12-7-19(25)15(10-18(12)24)13-3-5-20-16(8-13)23(11-29-22(26)27-23)17-9-14(28-2)4-6-21(17)30-20/h3-10H,11H2,1-2H3,(H2,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKLOGTHCFUTDNH-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