COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK449324
Chemical Name: ethyl(2Z)-3-amino-2-[(4-nitrophenyl)carbamothioyl]but-2-enoate
Smiles: CCOC(=O)/C(=C(/N)\C)/C(=S)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 309.35
Empirical Formula: C13H15N3O4S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 2.537
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 142
Number of rings: 1

     

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