General Information of the Compound
| Compound ID |
CP0515135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 32
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22N2O4S
|
||||||||||||||||||
| Molecular Weight |
482.561
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22N2O4S/c1-19-26-9-5-4-8-24(26)17-29-27(19)30(18-20-10-11-21-6-2-3-7-23(21)16-20)35(33,34)25-14-12-22(13-15-25)28(31)32/h2-17H,18H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLPMQQKRVFPCJR-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