General Information of the Compound
| Compound ID |
CP0529027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8629282, 30
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21F3N4O6
|
||||||||||||||||||
| Molecular Weight |
542.47
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)NCC1(CC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21F3N4O6/c27-26(28,29)18-19(13-4-2-1-3-5-13)32-38-21(18)23-31-22(33-39-23)14-6-7-15-17(10-14)37-11-16(20(15)34)30-12-25(8-9-25)24(35)36/h1-7,10,16,20,30,34H,8-9,11-12H2,(H,35,36)/t16-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDVVGVIULMIHIH-UZLBHIALSA-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