General Information of the Compound
| Compound ID |
CP0073954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N7S
|
||||||||||||||||||
| Molecular Weight |
363.45
|
||||||||||||||||||
| Canonical SMILES |
Nc1nnc(s1)-c1ccc2[nH]cc(-c3cncc(n3)N3CCCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N7S/c19-18-24-23-17(26-18)11-3-4-14-12(7-11)13(8-21-14)15-9-20-10-16(22-15)25-5-1-2-6-25/h3-4,7-10,21H,1-2,5-6H2,(H2,19,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOVBYWVIFNEHJK-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