General Information of the Compound
| Compound ID |
CP0554240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062070, 102
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25FN10O
|
||||||||||||||||||
| Molecular Weight |
488.531
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CN1)C(=O)C1CCc2nc(ncc12)-n1cnnn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25FN10O/c1-14-16(3-5-19(25)22(14)26-2)21-12-33-7-8-34(11-15(33)9-27-21)23(36)17-4-6-20-18(17)10-28-24(30-20)35-13-29-31-32-35/h3,5,10,13,15,17,21,27H,4,6-9,11-12H2,1H3/t15-,17?,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNDARHVEYNVOHK-IKZMBGHXSA-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