COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572598
Chemical Name: (1Z)-3-(2,4-dichlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)butan-2-one
Smiles: COc1cc2/C(=C/C(=O)C(Oc3ccc(cc3Cl)Cl)C)/NCCc2cc1OC

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Molecular Weight: 422.31
Empirical Formula: C21H21Cl2NO4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.885
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 3

     

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