General Information of the Compound
| Compound ID |
CP0572987
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 266
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22FN5O3S
|
||||||||||||||||||
| Molecular Weight |
515.57
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2csc(Nc3cc(C)ccc3F)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22FN5O3S/c1-15-4-6-20(28)21(8-15)31-27-29-17(14-37-27)13-35-23-9-18(34-3)10-24-19(23)11-25(36-24)22-12-33-26(30-22)7-5-16(2)32-33/h4-12,14H,13H2,1-3H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRZXRAHYLLWZIH-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