COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045655
Chemical Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)thiourea
Smiles: COc1ccc(cc1OC)CCNC(=S)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 361.42
Empirical Formula: C17H19N3O4S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.276
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 120
Number of rings: 2

     

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