COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456942
Chemical Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Smiles: COc1cc(CCNC(=S)Nc2ccc3c(c2)OCO3)ccc1OC

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Molecular Weight: 360.43
Empirical Formula: C18H20N2O4S

Physical State: Dry powder
Available Amount: 373 mg

Lipinsky:
logP: 3.024
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 93
Number of rings: 3

     

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