COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994311
Chemical Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
Smiles: CCCCc1nnc(s1)NC(=O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 476.6
Empirical Formula: C20H20N4O4S3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.466
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 179
Number of rings: 4

     

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