COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL019636
Chemical Name: ethyl2-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C/C(=O)N)sc2c1CCCC2

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Molecular Weight: 322.39
Empirical Formula: C15H18N2O4S

Physical State: Dry powder
Available Amount: 83 mg

Lipinsky:
logP: 3.881
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 126
Number of rings: 2

     

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