COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833979
Chemical Name: ethyl(2E)-3-[(4-bromophenyl)amino]-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Smiles: CCOC(=O)/C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)Nc1ccc(cc1)Br

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Molecular Weight: 443.34
Empirical Formula: C22H23BrN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.505
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 67
Number of rings: 3

     

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