COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK440585
Chemical Name: methyl2-{[(2E)-3-(4-bromophenyl)prop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)Br)sc(c1C)C(=O)N(C)C

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Molecular Weight: 451.34
Empirical Formula: C19H19BrN2O4S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 5.976
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 2

     

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