General Information of the Compound
| Compound ID |
CP0504109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10077266, Example 112
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27F4N5O3S
|
||||||||||||||||||
| Molecular Weight |
517.549
|
||||||||||||||||||
| Canonical SMILES |
CC1Cc2nc(NCC(F)F)c(nc2CN1S(C)(=O)=O)N1CCC(CC1)Oc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27F4N5O3S/c1-13-9-17-18(12-31(13)35(2,32)33)29-22(21(28-17)27-11-20(25)26)30-7-5-15(6-8-30)34-19-4-3-14(23)10-16(19)24/h3-4,10,13,15,20H,5-9,11-12H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNECLYPVBLBWJE-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