General Information of the Compound
| Compound ID |
CP0559467
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,6-dimethyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N7O2S
|
||||||||||||||||||
| Molecular Weight |
525.638
|
||||||||||||||||||
| Canonical SMILES |
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N7O2S/c1-16-8-9-20(17(2)26(16)30-28(37)24-12-18-6-4-5-7-23(18)38-24)21-14-22(27(36)32-31-21)29-25-13-19-15-34(3)10-11-35(19)33-25/h4-9,12-14H,10-11,15H2,1-3H3,(H,30,37)(H,32,36)(H,29,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVDMQSQHLIBTLO-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