General Information of the Compound
| Compound ID |
CP0224367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3622361
Show/Hide
|
||||||||||||||||||
| Formula |
C24H26F3N3O5S
|
||||||||||||||||||
| Molecular Weight |
525.549
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)NC(=O)OCC(F)(F)F)c1ccccc1)=NS2(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F3N3O5S/c1-34-18-8-5-9-19-20(18)21(30-36(19,32)33)28-14-23(16-6-3-2-4-7-16)12-10-17(11-13-23)29-22(31)35-15-24(25,26)27/h2-9,17H,10-15H2,1H3,(H,28,30)(H,29,31)/t17-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWGJTTLXQUOTQV-QBNMFFNISA-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 | |||||||||||||||||||
| 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