COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473599
Chemical Name: ethyl2-{[(2E)-2-cyano-3-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1ccsc1NC(=O)/C(=C/c1ccc(c(c1)COc1ccc(cc1[N+](=O)[O-])C)OC)/C#N

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Molecular Weight: 521.55
Empirical Formula: C26H23N3O7S

Physical State: Dry powder
Available Amount: 422 mg

Lipinsky:
logP: 6.899
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 171
Number of rings: 3

     

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