General Information of the Compound
| Compound ID |
CP0563325
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 120
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26F3N7O2
|
||||||||||||||||||
| Molecular Weight |
549.557
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26F3N7O2/c1-15-12-19(28(29,30)31)13-21(34-15)35-27(40)17-4-2-16(3-5-17)23-24-25(32)33-10-11-37(24)26(36-23)18-6-7-20-8-9-22(39)38(20)14-18/h2-5,10-13,18,20H,6-9,14H2,1H3,(H2,32,33)(H,34,35,40)/t18-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMXXWCCWGYPATJ-QUCCMNQESA-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