General Information of the Compound
| Compound ID |
CP0499618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346829, 18
Show/Hide
|
||||||||||||||||||
| Formula |
C22H25FN4O3
|
||||||||||||||||||
| Molecular Weight |
412.465
|
||||||||||||||||||
| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cnn(CCF)c2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN4O3/c1-25-15-8-18(9-16(25)14-29-13-15)30-22(28)20-12-27(21-5-3-2-4-19(20)21)17-10-24-26(11-17)7-6-23/h2-5,10-12,15-16,18H,6-9,13-14H2,1H3/t15-,16+,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDOGNOXMEIGHPK-ALXJQNPVSA-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 | |||||||||||||||||||
| 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