COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799097
Chemical Name: prop-2-en-1-yl(2Z)-2-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCCCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=C)C)c1ccccc1

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Saltdata: 1/5CH3COOH
Molecular Weight: 660.79
Empirical Formula: C38H36N4O5S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 9.146
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 120
Number of rings: 6

     

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