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Chemical structure of Hepln-13

GC62265

Hepln-13

Also known as 2-(4-bromophenyl)-2,3-dihydro-1H-perimidine

Hepln-13 is a potent and orally active Hepsin inhibitor with an IC50 of 0·33 ?M· Hepln-13 can be used for the research of metastatic prostate cancer

ChemicalCAS64369-13-7MW325.2FormulaC17H13BrN2
CAS number
64369-13-7
Molecular weight
325.2
Formula
C17H13BrN2
Solubility
DMSO ： 62·5 mg/mL (192·19 mM; Need ultrasonic)
InChIKey
YSRRRCGJBGQBDM-UHFFFAOYSA-N
Catalogue number
GC62265
Brand
GLPBIO
Computed properties PubChem CID 256658 · XLogP 5.2 · TPSA 24.1 Ų · H-bond donors 2
XLogP
5.2
TPSA
24.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20

SMILES C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)Br

Computed descriptors from PubChem (CID 256658), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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