General Information of the Compound
| Compound ID |
CP0534598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9969687, Compound 257
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
528.03
|
||||||||||||||||||
| Canonical SMILES |
CCc1c(OC)cncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClN3O5S/c1-6-17-20(13-28-14-21(17)35-5)30-24(31)22-18(27)11-12-19(23(22)25(30)32)29-36(33,34)16-9-7-15(8-10-16)26(2,3)4/h7-14,29H,6H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIZCMRZLYLYWDA-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