General Information of the Compound
| Compound ID |
CP0567105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10065961, Compound 5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N5OS2
|
||||||||||||||||||
| Molecular Weight |
435.578
|
||||||||||||||||||
| Canonical SMILES |
CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h4-9,12-14H,3,10-11H2,1-2H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMKOUSMRHGWAAC-CQSZACIVSA-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