COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472698
Chemical Name: methyl2-{[(2E)-3-(4-bromophenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(cc1)Br)/C(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 391.25
Empirical Formula: C16H11BrN2O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.686
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 2

     

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