COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434880
Chemical Name: methyl2-{[(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino}-5-carbamoyl-4-methylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(s1)Br)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N

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Molecular Weight: 454.33
Empirical Formula: C16H12BrN3O4S2

Physical State: Dry powder
Available Amount: 700 mg

Lipinsky:
logP: 5.23
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 178
Number of rings: 2

     

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