COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK578988
Chemical Name: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)[N+](=O)[O-])O)/c1scc(n1)c1cccc(c1)Br

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Molecular Weight: 458.29
Empirical Formula: C19H12BrN3O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.06
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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