General Information of the Compound
| Compound ID |
CP0904640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
505.566
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3nccs3)CC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F3N5O2S/c25-24(26,27)15-1-2-19-18(11-15)20(5-8-28-19)30-12-21(33)31-16-13-32(14-16)17-3-6-23(34,7-4-17)22-29-9-10-35-22/h1-2,5,8-11,16-17,34H,3-4,6-7,12-14H2,(H,28,30)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKYQBMJQWWZXTR-UHFFFAOYSA-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