COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK704140
Chemical Name: (5E)-2-(2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: Cc1ccccc1c1nc2n(n1)c(=O)/c(=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])/s2

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Saltdata: 1/5CH3COOH
Molecular Weight: 430.44
Empirical Formula: C22H14N4O4S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 6.489
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 5

     

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