General Information of the Compound
| Compound ID |
CP0569951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-chlorophenyl)-2-(7-chloroquinazolin-4-yl)-1,2,4-triazol-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10Cl2N6
|
||||||||||||||||||
| Molecular Weight |
357.204
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nn1-c1ncnc2cc(Cl)ccc12)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10Cl2N6/c17-10-3-1-9(2-4-10)14-22-16(19)24(23-14)15-12-6-5-11(18)7-13(12)20-8-21-15/h1-8H,(H2,19,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXDHGCDMPADRKA-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