General Information of the Compound
| Compound ID |
CP0425476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9193726, 39
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23FN4O3
|
||||||||||||||||||
| Molecular Weight |
458.493
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CC[C@H]1Oc1cccc2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23FN4O3/c1-16-14-29(15-28-16)21-7-8-22-26(33)30(11-12-31(22)25(21)32)20-9-10-24(20)34-23-4-2-3-17-5-6-18(27)13-19(17)23/h2-8,13-15,20,24H,9-12H2,1H3/t20-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMIYUYCIZGRXRV-HYBUGGRVSA-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