COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905100
Chemical Name: 2-(4-tert-butylphenoxy)-3-{(Z)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3C)/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C

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Saltdata: 2/3CH3COOH
Molecular Weight: 637.78
Empirical Formula: C34H31N5O4S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 5.242
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 143
Number of rings: 6

     

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