General Information of the Compound
| Compound ID |
CP0464903
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 185
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H26ClF6N3O4
|
||||||||||||||||||
| Molecular Weight |
678.029
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cc(no2)-c2ccccc2Cl)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H26ClF6N3O4/c1-19-7-9-20(10-8-19)24-18-31(33(38,39)40,21-11-13-22(14-12-21)46-16-4-15-32(35,36)37)42-30(45)28(24)41-29(44)27-17-26(43-47-27)23-5-2-3-6-25(23)34/h2-3,5-14,17H,4,15-16,18H2,1H3,(H,41,44)(H,42,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDYMZQXZHDTDEG-UHFFFAOYSA-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