COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009187
Chemical Name: methyl2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 386.43
Empirical Formula: C19H18N2O5S

Physical State: Dry powder
Available Amount: 1972 mg

Lipinsky:
logP: 6.608
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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