General Information of the Compound
| Compound ID |
CP0521497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163012, 56
Show/Hide
|
||||||||||||||||||
| Formula |
C25H30N4O4S
|
||||||||||||||||||
| Molecular Weight |
482.606
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc(cc1=O)-c1csc(n1)C1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N4O4S/c1-28-4-2-15(8-20(28)30)19-13-34-22(27-19)16-3-5-29(12-16)24(32)33-21-17-6-14-7-18(21)11-25(9-14,10-17)23(26)31/h2,4,8,13-14,16-18,21H,3,5-7,9-12H2,1H3,(H2,26,31)/t14?,16?,17?,18?,21-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPUOCPSOEGKRSJ-GQFMUEOCSA-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 | |||||||||||||||||||
| 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