General Information of the Compound
| Compound ID |
CP0529037
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 475
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H14BrF4N5O2S2
|
||||||||||||||||||
| Molecular Weight |
612.428
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CN(c2sc3ccccc3c2Br)S(=O)(=O)c2ccc(cc2)-c2nnn[nH]2)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H14BrF4N5O2S2/c24-20-16-3-1-2-4-19(16)36-22(20)33(12-13-5-10-18(25)17(11-13)23(26,27)28)37(34,35)15-8-6-14(7-9-15)21-29-31-32-30-21/h1-11H,12H2,(H,29,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDTPFAPAYAREIK-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