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Chemical structure of CASK-IN-1

GC70409

CASK-IN-1

Also known as 4-(cyclopentylamino)-2-[(2,5-dibromo-4-methylphenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide

CASK-IN-1 is a highly potent and selective CASK inhibitor with a Kd value of 0·022 μM

ChemicalCAS2755241-73-5MW610.34FormulaC24H30Br2N6O3
CAS number
2755241-73-5
Molecular weight
610.34
Formula
C24H30Br2N6O3
InChIKey
BPLPIBNWDLPUKP-UHFFFAOYSA-N
Catalogue number
GC70409
Brand
GLPBIO
Computed properties PubChem CID 155908701 · XLogP 5.2 · TPSA 108 Ų · H-bond donors 3
XLogP
5.2
TPSA
108 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
35

SMILES CC1=CC(=C(C=C1Br)CNC2=NC=C(C(=N2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br

Computed descriptors from PubChem (CID 155908701), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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