COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800082
Chemical Name: (5Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(3,4-dimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: COc1cc(ccc1OC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 425.9
Empirical Formula: C21H16ClN3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.966
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 4

     

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