General Information of the Compound
| Compound ID |
CP0441592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9193726, 61
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25ClF2N4O4
|
||||||||||||||||||
| Molecular Weight |
518.948
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(Cl)cc1OC(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClF2N4O4/c1-14-12-30(13-29-14)18-5-6-19-24(34)31(9-10-32(19)23(18)33)15(2)20-7-8-21(35-20)17-4-3-16(26)11-22(17)36-25(27)28/h3-6,11-13,15,20-21,25H,7-10H2,1-2H3/t15-,20-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULDIUOLPUHERRN-ONGXBYRLSA-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