General Information of the Compound
| Compound ID |
CP0202564
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15BrN6O
|
||||||||||||||||||
| Molecular Weight |
435.285
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(Br)cc3[nH]2)c1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15BrN6O/c1-10-24-15-5-4-13(8-17(15)25-10)27-20(22)14(9-23-27)19(28)18-6-11-2-3-12(21)7-16(11)26-18/h2-9,26H,22H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMMKZXLXQZTHBG-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