COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK386325
Chemical Name: (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)Br)C)/C(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 460.37
Empirical Formula: C25H22BrN3O

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 5.884
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 49
Number of rings: 4

     

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