General Information of the Compound
| Compound ID |
CP0546909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propyl]benzimidazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N9O3
|
||||||||||||||||||
| Molecular Weight |
505.583
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(C)cc1C(=O)NCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(ccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N9O3/c1-5-33-20(12-15(3)30-33)23(36)27-10-7-11-32-19-9-8-17(22(26)35)14-18(19)28-25(32)29-24(37)21-13-16(4)31-34(21)6-2/h8-9,12-14H,5-7,10-11H2,1-4H3,(H2,26,35)(H,27,36)(H,28,29,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOQKJVIOYBACFZ-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 | |||||||||||||||||||
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