General Information of the Compound
| Compound ID |
CP0545937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 163
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27F3N8O3S
|
||||||||||||||||||
| Molecular Weight |
600.627
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1ccc2[nH]c(nc2c1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F3N8O3S/c1-16-13-36(8-9-38(16)21(39)14-37-15-32-19-4-3-7-31-24(19)37)25-22(35-26(42-25)27(28,29)30)23-33-18-6-5-17(12-20(18)34-23)41-11-10-40-2/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H,33,34)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEKODWBEGCSMPV-MRXNPFEDSA-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