COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182287
Chemical Name: (2E)-N-(3-bromophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)Nc1cccc(c1)Br

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Molecular Weight: 416.19
Empirical Formula: C17H10BrN3O5

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.672
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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