General Information of the Compound
| Compound ID |
CP0547548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3779986
Show/Hide
|
||||||||||||||||||
| Formula |
C18H15ClN4O
|
||||||||||||||||||
| Molecular Weight |
338.798
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc([nH]c2c1)C1=C(N)N(CC1=O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15ClN4O/c1-10-5-6-13-14(7-10)22-18(21-13)16-15(24)9-23(17(16)20)12-4-2-3-11(19)8-12/h2-8H,9,20H2,1H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQBAFKVMNSVRJT-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 | |||||||||||||||||||
| 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