COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473587
Chemical Name: ethyl2-{[(2E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1ccsc1NC(=O)/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/C#N

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Molecular Weight: 415.38
Empirical Formula: C18H13N3O7S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 5.407
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 171
Number of rings: 3

     

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