COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577724
Chemical Name: (3E)-4-imino-7,8-dimethyl-3-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=N)c2cc(C)c(cc2s3)C)cc(c1OC)OC

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Molecular Weight: 423.49
Empirical Formula: C22H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.989
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 109
Number of rings: 4

     

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