General Information of the Compound
| Compound ID |
CP0572406
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 171
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F2N4O3
|
||||||||||||||||||
| Molecular Weight |
416.428
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3C[C@](C)(Oc4ccccc34)C(F)F)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F2N4O3/c1-21(18(22)23)10-16(14-5-3-4-6-17(14)30-21)25-19(28)24-13-8-7-12-11-27(2)20(29)26-15(12)9-13/h3-9,16,18H,10-11H2,1-2H3,(H,26,29)(H2,24,25,28)/t16-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVUKZGYEXUJJOD-IERDGZPVSA-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