COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595224
Chemical Name: (1Z)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-phenylpentan-2-one
Smiles: CCC(c1ccccc1)C(=O)/C=C/1\NCCc2c1cc(OC)c(c2)OC

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Molecular Weight: 351.45
Empirical Formula: C22H25NO3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.261
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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