COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL522287
Chemical Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea
Smiles: COc1c(C=O)c(CCN(C(=S)NCc2ccc3c(c2)OCO3)C)cc2c1OCO2

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Molecular Weight: 430.48
Empirical Formula: C21H22N2O6S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.802
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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