General Information of the Compound
| Compound ID |
CP0556974
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9035059, 18-31
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34FN3O4S
|
||||||||||||||||||
| Molecular Weight |
551.684
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCC3CC3)cc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34FN3O4S/c1-30(2,3)23-7-9-24(10-8-23)32-29(35)34-18-21-6-12-26(16-22(21)19-34)39(36,37)33-28-13-11-25(17-27(28)31)38-15-14-20-4-5-20/h6-13,16-17,20,33H,4-5,14-15,18-19H2,1-3H3,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMBRACCIMSMHQN-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