General Information of the Compound
| Compound ID |
CP0554520
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 200
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25FN4O5S2
|
||||||||||||||||||
| Molecular Weight |
544.63
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2nc(sc2C)C2(O)CCOCC2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25FN4O5S2/c1-13(26)22-29-30-11-17(28-24(30)37-22)21-10-16-19(8-15(32-3)9-20(16)35-21)34-12-18-14(2)36-23(27-18)25(31)4-6-33-7-5-25/h8-11,13,31H,4-7,12H2,1-3H3/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPOPLWYGFMPZEX-ZDUSSCGKSA-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