COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455398
Chemical Name: 1-[2-(cyclohex-1-en-1-yl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea
Smiles: COc1cc(ccc1NC(=S)NCCC1=CCCCC1)[N+](=O)[O-]

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Molecular Weight: 335.43
Empirical Formula: C16H21N3O3S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 4.47
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 111
Number of rings: 2

     

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