General Information of the Compound
| Compound ID |
CP0479576
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 262
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22F3N7
|
||||||||||||||||||
| Molecular Weight |
405.428
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Nc1nc(NCC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22F3N7/c1-11(12-7-8-12)25-17-28-15(13-5-4-6-14(26-13)19(20,21)22)27-16(29-17)24-10-18(2,3)9-23/h4-6,11-12H,7-8,10H2,1-3H3,(H2,24,25,27,28,29)/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMYMOIAVHSSRHV-LLVKDONJSA-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