COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192987
Chemical Name: (2Z)-2-(4-bromophenyl)-3-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(n(c1C)c1cccc(c1)[N+](=O)[O-])C)/c1ccc(cc1)Br

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Molecular Weight: 422.28
Empirical Formula: C21H16BrN3O2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.887
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 3

     

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