COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799373
Chemical Name: 2-methylpropyl(2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(cc1)OCC)/s2)C(=O)OCC(C)C

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Saltdata: 2/3 CH3COOH
Molecular Weight: 578.69
Empirical Formula: C31H34N2O7S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.593
Rotatable bonds: 10
H-donors: 0
H-acceptors: 7
PSA: 129
Number of rings: 4

     

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