General Information of the Compound
| Compound ID |
CP0468520
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9862730, Example 361
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26ClN3O7S
|
||||||||||||||||||
| Molecular Weight |
608.072
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(OC)c(OC)c4Cl)c3)cc(OC)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26ClN3O7S/c1-35-20-11-24(21-13-26(41-25(21)12-20)22-14-34-29(32-22)42-30(33-34)38-4)40-15-17-6-5-7-19(10-17)39-16-18-8-9-23(36-2)28(37-3)27(18)31/h5-14H,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCXMFSYIFFIZJT-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