COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364869
Chemical Name: (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc2c(c1)OCO2)C)/C(=O)Nc1ccc(cc1)Br

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Molecular Weight: 464.32
Empirical Formula: C23H18BrN3O3

Physical State: Dry powder
Available Amount: 494 mg

Lipinsky:
logP: 6.195
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 76
Number of rings: 4

     

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