General Information of the Compound
| Compound ID |
CP0473412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10077266, Example 155
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32F2N6O2
|
||||||||||||||||||
| Molecular Weight |
486.567
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(N[C@H]3CCOC3)nc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32F2N6O2/c1-2-23(34)33-7-5-21-22(15-33)29-24(28-19-6-12-35-16-19)25(30-21)32-10-8-31(9-11-32)14-17-3-4-18(26)13-20(17)27/h3-4,13,19H,2,5-12,14-16H2,1H3,(H,28,29)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDGIOUPKISJVFS-IBGZPJMESA-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