General Information of the Compound
| Compound ID |
CP0219079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,23,25-hexazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20N6O4S
|
||||||||||||||||||
| Molecular Weight |
524.562
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3ccc-2cc13
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20N6O4S/c1-37-27-24-10-19(14-30-27)17-5-6-23-22(9-17)25(32-15-31-23)20-7-16(11-28-13-20)12-29-26(34)18-3-2-4-21(8-18)38(35,36)33-24/h2-11,13-15,33H,12H2,1H3,(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLUPBYKXRIWQCL-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