General Information of the Compound
| Compound ID |
CP0556277
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10065961, Compound 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N5OS
|
||||||||||||||||||
| Molecular Weight |
401.495
|
||||||||||||||||||
| Canonical SMILES |
Cc1csc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N5OS/c1-15-14-29-21(23-15)20-25-24-19-13-26(11-12-27(19)20)22(28)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDYMECDOYLYYMF-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