COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421735
Chemical Name: methyl6-tert-butyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 442.54
Empirical Formula: C23H26N2O5S

Physical State: Dry powder
Available Amount: 1090 mg

Lipinsky:
logP: 8.45
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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