COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434842
Chemical Name: methyl2-{[(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(s1)Br)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C

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Molecular Weight: 482.38
Empirical Formula: C18H16BrN3O4S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.465
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 155
Number of rings: 2

     

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