General Information of the Compound
| Compound ID |
CP0296804
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000336336
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16N2OS3
|
||||||||||||||||||
| Molecular Weight |
408.573
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1nc(-c2cccs2)c(s1)-c1cccs1)C1(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16N2OS3/c24-19(21(10-11-21)14-6-2-1-3-7-14)23-20-22-17(15-8-4-12-25-15)18(27-20)16-9-5-13-26-16/h1-9,12-13H,10-11H2,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPVUHOOOGSVEBT-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