General Information of the Compound
| Compound ID |
CP0565566
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901315, 340
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23N3O2S
|
||||||||||||||||||
| Molecular Weight |
333.457
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1C[C@@H]1CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23N3O2S/c1-10-13-8-15(16(22)18-14-7-11(14)9-21)23-17(13)20(19-10)12-5-3-2-4-6-12/h8,11-12,14,21H,2-7,9H2,1H3,(H,18,22)/t11-,14+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DCTAZTJLKIGPNW-RISCZKNCSA-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