COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK949545
Chemical Name: methyl2-{[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1sc(c(c1C(=O)OC)C)C

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Molecular Weight: 385.4
Empirical Formula: C18H15N3O5S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 5.494
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 2

     

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