General Information of the Compound
| Compound ID |
CP0493307
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 127
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29F3N6O2
|
||||||||||||||||||
| Molecular Weight |
478.519
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29F3N6O2/c1-2-27-22(34)14-3-6-17(7-4-14)32-11-16(12-32)31-20(33)10-28-21-18-9-15(23(24,25)26)5-8-19(18)29-13-30-21/h5,8-9,13-14,16-17H,2-4,6-7,10-12H2,1H3,(H,27,34)(H,31,33)(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTFZAEGSTMTPGB-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