General Information of the Compound
| Compound ID |
CP0458536
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-8-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F3N2O4S
|
||||||||||||||||||
| Molecular Weight |
452.454
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1NS(C)(=O)=O)c1cc(F)c(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F3N2O4S/c1-29-20-8-11-10(5-18(20)26-31(2,27)28)3-4-19-12(11)7-17(25)21(30-19)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21,26H,7,25H2,1-2H3/t17-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSAQPXUTUJAYBB-LAUBAEHRSA-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