General Information of the Compound
| Compound ID |
CP0554560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-butyl-N-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N7OS
|
||||||||||||||||||
| Molecular Weight |
475.622
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NC1CCCc2ncn(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N7OS/c1-4-5-10-20-17(24(33)29-19-9-6-8-18-23(19)31(3)15-27-18)14-28-32(20)25-26-13-16(2)22(30-25)21-11-7-12-34-21/h7,11-15,19H,4-6,8-10H2,1-3H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AAUARBMANVIYBT-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