General Information of the Compound
| Compound ID |
CP0013452
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H23N5O3S
|
||||||||||||||||||
| Molecular Weight |
425.514
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NS(C)(=O)=O)cn2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N5O3S/c1-12-8-15(9-16-10-25(21(27)20(12)16)13(2)14-4-5-14)17-6-7-19-22-18(11-26(19)23-17)24-30(3,28)29/h6-9,11,13-14,24H,4-5,10H2,1-3H3/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVOIHWKNZQREEB-ZDUSSCGKSA-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 | |||||||||||||||||||
| 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
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform