COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598103
Chemical Name: (2Z)-1-(3-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3cccc(c3)Cl)/NCCc2cc1OC

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Molecular Weight: 343.81
Empirical Formula: C19H18ClNO3

Physical State: Dry powder
Available Amount: 265 mg

Lipinsky:
logP: 4.171
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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