COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473600
Chemical Name: ethyl2-{[(2E)-2-cyano-3-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1ccsc1NC(=O)/C(=C/c1ccc(c(c1)COc1ccccc1[N+](=O)[O-])OC)/C#N

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Molecular Weight: 507.52
Empirical Formula: C25H21N3O7S

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 6.439
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 171
Number of rings: 3

     

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