General Information of the Compound
| Compound ID |
CP0409824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 240
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
587.101
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2csc(n2)C2(CCOCC2)c2cccc(Cl)c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27ClN4O4S/c1-19-6-7-29-34-25(16-36(29)35-19)28-15-24-26(13-23(37-2)14-27(24)40-28)39-17-22-18-41-30(33-22)31(8-10-38-11-9-31)20-4-3-5-21(32)12-20/h3-7,12-16,18H,8-11,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLSIATBKRHHMOJ-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