General Information of the Compound
| Compound ID |
CP0422799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-2-(6-Benzoyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-6-chloro-4-benzo[d]isoxazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20ClNO5
|
||||||||||||||||||
| Molecular Weight |
449.89
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)n1oc2cc(Cl)ccc2c1=O)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20ClNO5/c1-25(2)23(29)21(27-24(30)17-10-9-16(26)13-20(17)32-27)18-12-15(8-11-19(18)31-25)22(28)14-6-4-3-5-7-14/h3-13,21,23,29H,1-2H3/t21-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFIMSPQUMKCRGB-GGAORHGYSA-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