COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK898931
Chemical Name: dimethyl5-{(E)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}benzene-1,3-dicarboxylate
Smiles: N#C/C(=C\c1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(c(c1)Cl)Cl

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Molecular Weight: 473.34
Empirical Formula: C22H14Cl2N2O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.671
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 117
Number of rings: 3

     

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