General Information of the Compound
| Compound ID |
CP0457805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4238131
Show/Hide
|
||||||||||||||||||
| Formula |
C25H22F3N3O2S
|
||||||||||||||||||
| Molecular Weight |
485.531
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccc2C#N)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N3O2S/c26-25(27,28)19-7-14-24(30-16-19)31-20-8-12-22(13-9-20)34(32,33)21-10-5-17(6-11-21)23-4-2-1-3-18(23)15-29/h1-7,10-11,14,16,20,22H,8-9,12-13H2,(H,30,31)/t20-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUBPHDSWXLQUQT-AQYVVDRMSA-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