General Information of the Compound
| Compound ID |
CP0463809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-6-Chloro-2-[3-hydroxy-2,2-dimethyl-6-(piperidine-1-sulfonyl)-chroman-4-yl]-benzo[d] isoxazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25ClN2O6S
|
||||||||||||||||||
| Molecular Weight |
492.981
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)n1oc2cc(Cl)ccc2c1=O)S(=O)(=O)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25ClN2O6S/c1-23(2)21(27)20(26-22(28)16-8-6-14(24)12-19(16)32-26)17-13-15(7-9-18(17)31-23)33(29,30)25-10-4-3-5-11-25/h6-9,12-13,20-21,27H,3-5,10-11H2,1-2H3/t20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZWMAJYKWJFEHI-RTWAWAEBSA-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