COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799791
Chemical Name: (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(n1)s/c(=C\c1ccc(o1)c1cccc(c1)Cl)/c2=O

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Saltdata: 1/2CH3COOH
Molecular Weight: 495.94
Empirical Formula: C24H18ClN3O5S

Physical State: Dry powder
Available Amount: 408 mg

Lipinsky:
logP: 7.237
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 113
Number of rings: 5

     

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