General Information of the Compound
| Compound ID |
CP0543367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 257
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N5O3S
|
||||||||||||||||||
| Molecular Weight |
447.52
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N5O3S/c1-14-4-5-22-25-18(11-28(22)26-14)21-10-17-19(8-16(29-2)9-20(17)31-21)30-12-15-13-32-23(24-15)27-6-3-7-27/h4-5,8-11,13H,3,6-7,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JOUKLYAGDWPYDF-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