General Information of the Compound
| Compound ID |
CP0536020
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9193726, 57
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClFN4O4
|
||||||||||||||||||
| Molecular Weight |
500.958
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Cl)c(F)cc1[C@H]1CC[C@H](O1)[C@H](C)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClFN4O4/c1-14-12-29(13-28-14)19-4-5-20-25(33)30(8-9-31(20)24(19)32)15(2)21-6-7-22(35-21)16-10-18(27)17(26)11-23(16)34-3/h4-5,10-13,15,21-22H,6-9H2,1-3H3/t15-,21-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWXPNBVHAIEJQS-UZQPLGKSSA-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