COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK898635
Chemical Name: (2E)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-{4-[2-(3-nitrophenyl)-2-oxoethoxy]phenyl}prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCC(=O)c1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1ccc(c(c1)C)C

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Molecular Weight: 495.56
Empirical Formula: C28H21N3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.221
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 137
Number of rings: 4

     

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