COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581446
Chemical Name: (1Z)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)butan-2-one
Smiles: COc1cc2/C(=C/C(=O)C(Oc3ccc(cc3)Cl)C)/NCCc2cc1OC

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Molecular Weight: 387.86
Empirical Formula: C21H22ClNO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.327
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 3

     

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