General Information of the Compound
| Compound ID |
CP0564458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9446130, 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23F3N8O
|
||||||||||||||||||
| Molecular Weight |
532.53
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncc2[C@H](CCCc12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23F3N8O/c1-37-20-4-2-3-18(19(20)14-34-37)25-36-22(23-24(31)33-11-12-38(23)25)15-5-7-16(8-6-15)26(39)35-21-13-17(9-10-32-21)27(28,29)30/h5-14,18H,2-4H2,1H3,(H2,31,33)(H,32,35,39)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBTGVZYIPISXRS-SFHVURJKSA-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