General Information of the Compound
| Compound ID |
CP0479118
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 323
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23F3N6
|
||||||||||||||||||
| Molecular Weight |
392.429
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1ccnc(c1)C(F)(F)F)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23F3N6/c1-10(12-3-4-12)24-17-26-16(14-7-8-23-15(9-14)19(20,21)22)27-18(28-17)25-11(2)13-5-6-13/h7-13H,3-6H2,1-2H3,(H2,24,25,26,27,28)/t10-,11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZTHBVUYLQRNQU-GHMZBOCLSA-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