General Information of the Compound
| Compound ID |
CP0471303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 168
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25F3N8O2S
|
||||||||||||||||||
| Molecular Weight |
582.612
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(ccc2[nH]1)C1(O)CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25F3N8O2S/c1-15-12-36(9-10-38(15)20(39)13-37-14-32-18-3-2-8-31-23(18)37)24-21(35-25(41-24)27(28,29)30)22-33-17-5-4-16(11-19(17)34-22)26(40)6-7-26/h2-5,8,11,14-15,40H,6-7,9-10,12-13H2,1H3,(H,33,34)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXONERUOVVIUTD-OAHLLOKOSA-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