General Information of the Compound
| Compound ID |
CP0433992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-3-hydroxy-2,2-dimethyl-N-phenethyl-4-(4-(trifluoromethyl)phenylsulfonamido)chroman-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27F3N2O5S
|
||||||||||||||||||
| Molecular Weight |
548.583
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](NS(=O)(=O)c2ccc(cc2)C(F)(F)F)[C@@H]1O)C(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F3N2O5S/c1-26(2)24(33)23(32-38(35,36)20-11-9-19(10-12-20)27(28,29)30)21-16-18(8-13-22(21)37-26)25(34)31-15-14-17-6-4-3-5-7-17/h3-13,16,23-24,32-33H,14-15H2,1-2H3,(H,31,34)/t23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILUSBUCMQFNCGG-RPWUZVMVSA-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