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Chemical structure of HPK1-IN-19

GC69238

HPK1-IN-19

Also known as 4-N-(2-dimethylphosphorylphenyl)-2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

KIF18A-IN-1 is an inhibitor of hematopoietic progenitor kinase 1 (HPK1), and more information can be found in compound I-47 in patent document WO2018102366A1

ChemicalCAS2227609-33-6MW517.56FormulaC27H32N7O2P
CAS number
2227609-33-6
Molecular weight
517.56
Formula
C27H32N7O2P
Solubility
DMSO : 100 mg/mL (193·21 mM; Need ultrasonic)
InChIKey
AZENVIBXSMLBQC-UHFFFAOYSA-N
Catalogue number
GC69238
Brand
GLPBIO
Computed properties PubChem CID 134564648 · XLogP 3.3 · TPSA 97.2 Ų · H-bond donors 2
XLogP
3.3
TPSA
97.2 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37

SMILES CN1CCC2=CC(=C(C=C2C1)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)C5=CN(N=C5)C)OC

Computed descriptors from PubChem (CID 134564648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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