COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK853766
Chemical Name: N-[(2E)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
Smiles: CCCCc1n[nH]/c(=N\C(=O)CCCN2C(=S)S/C(=C\c3ccc(cc3)Cl)/C2=O)/s1

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Molecular Weight: 481.06
Empirical Formula: C20H21ClN4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.639
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 156
Number of rings: 3

     

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