General Information of the Compound
| Compound ID |
CP0274071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9388171, II-46
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23ClFN5O
|
||||||||||||||||||
| Molecular Weight |
451.933
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1ccc(Cl)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClFN5O/c1-4-21(15-7-8-19(25)20(26)11-15)28-24(32)16-5-6-17-13-27-22(12-18(17)10-16)29-23-9-14(2)30-31(23)3/h5-13,21H,4H2,1-3H3,(H,27,29)(H,28,32)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMVDGCBYEJXIME-OAQYLSRUSA-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