General Information of the Compound
| Compound ID |
CP0515473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10077266, Example 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31F2N5O3
|
||||||||||||||||||
| Molecular Weight |
475.54
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC(C)C)nc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31F2N5O3/c1-15(2)27-23-24(29-19-8-11-31(13-20(19)28-23)22(32)14-33-3)30-9-6-17(7-10-30)34-21-5-4-16(25)12-18(21)26/h4-5,12,15,17H,6-11,13-14H2,1-3H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WIDYNDYFLUIBHH-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