COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK984010
Chemical Name: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-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)c1cc2cc(Br)ccc2oc1=O

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Molecular Weight: 526.32
Empirical Formula: C22H12BrN3O6S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 5.57
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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