General Information of the Compound
| Compound ID |
CP0076785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(3-cyano-3-methylbutanoyl)piperidin-4-yl]-N-[3-methyl-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34N8O3
|
||||||||||||||||||
| Molecular Weight |
602.699
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34N8O3/c1-22-18-23(11-12-27(22)38-32(44)26-20-36-41-15-7-6-9-28(26)41)37-33(45)31-25-8-4-5-10-29(25)42(39-31)24-13-16-40(17-14-24)30(43)19-34(2,3)21-35/h4-12,15,18,20,24H,13-14,16-17,19H2,1-3H3,(H,37,45)(H,38,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQWJYXLLLYRYCZ-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