SGI-1776   Click here for help

GtoPdb Ligand ID: 8784

Synonyms: SGI 1776 | SGI1776
Compound class: Synthetic organic
Comment: SGI-1776 is a pan PIM kinase inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 54.69
Molecular weight 405.18
XLogP 4.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(CC1)CNc1ccc2n(n1)c(cn2)c1cccc(c1)OC(F)(F)F
Isomeric SMILES CN1CCC(CC1)CNc1ccc2n(n1)c(cn2)c1cccc(c1)OC(F)(F)F
InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
InChI Key MHXGEROHKGDZGO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-f]pyridazin-6-amine
Synonyms Click here for help
SGI 1776 | SGI1776
Database Links Click here for help
CAS Registry No. 1025065-69-3 (source: PubChem)
ChEMBL Ligand CHEMBL1952329
GtoPdb PubChem SID 252827442
PubChem CID 24795070
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