COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK731826
Chemical Name: methyl2-{[(2E)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(o1)Br)/C(=O)Nc1sc(c(c1C(=O)OC)C)C

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Molecular Weight: 409.26
Empirical Formula: C16H13BrN2O4S

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 6.339
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 2

     

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