COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762606
Chemical Name: ethyl5-ethyl-2-({[2-(4-ethylpiperazin-1-yl)-5-nitrophenyl]carbonyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)c1cc(ccc1N1CCN(CC1)CC)[N+](=O)[O-])CC

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Molecular Weight: 460.55
Empirical Formula: C22H28N4O5S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 6.299
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 135
Number of rings: 3

     

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