General Information of the Compound
| Compound ID |
CP0556611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10000468, Example 19
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27F2N5O2
|
||||||||||||||||||
| Molecular Weight |
419.476
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1ncc(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27F2N5O2/c1-13(2)25-19-20(26-17(12-24-19)21(29)27(3)4)28-9-7-15(8-10-28)30-18-6-5-14(22)11-16(18)23/h5-6,11-13,15H,7-10H2,1-4H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEHQYDLXFOLMPC-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