General Information of the Compound
| Compound ID |
CP0156851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 84
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25F3N6O2S
|
||||||||||||||||||
| Molecular Weight |
506.554
|
||||||||||||||||||
| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(9-14)20(30-13-29-18)28-10-19(33)31-15-11-32(12-15)16-3-5-22(34,6-4-16)21-27-7-8-35-21/h1-2,7-9,13,15-16,34H,3-6,10-12H2,(H,31,33)(H,28,29,30)/t16-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCRCLSDNFGBESZ-CIEDQVTBSA-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