General Information of the Compound
| Compound ID |
CP0579641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10562910, Example 13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22Cl2N2O5
|
||||||||||||||||||
| Molecular Weight |
537.399
|
||||||||||||||||||
| Canonical SMILES |
CC1Cc2ccc(cc2Oc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22Cl2N2O5/c1-14-11-16-7-8-17(28(33)34)12-22(16)36-21-9-10-23(31-25(14)21)35-13-18-26(32-37-27(18)15-5-6-15)24-19(29)3-2-4-20(24)30/h2-4,7-10,12,14-15H,5-6,11,13H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSGKCBJKVYQMFL-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 | |||||||||||||||||||
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