COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK730977
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-{1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}-3-phenylthiourea
Smiles: CCCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=S)Nc1ccccc1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 559.69
Empirical Formula: C31H33N3O5S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 5.214
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 5

     

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