COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455700
Chemical Name: 1-(2-methoxy-4-nitrophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea
Smiles: COc1cc(ccc1NC(=S)Nc1cc(OCC(F)(F)F)cc(c1)OCC(C(F)F)(F)F)[N+](=O)[O-]

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Molecular Weight: 531.41
Empirical Formula: C19H16F7N3O5S

Physical State: Dry powder
Available Amount: 683 mg

Lipinsky:
logP: 5.276
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 129
Number of rings: 2

     

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