COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532021
Chemical Name: (2E,5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
Smiles: C=CCN1/C(=N\c2nnc(s2)CC)/S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 400.48
Empirical Formula: C18H16N4O3S2

Physical State: Dry powder
Available Amount: 269 mg

Lipinsky:
logP: 4.73
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 4

     

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