COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK668642
Chemical Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=S)N(c2ccccc2)C(=O)/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 442.49
Empirical Formula: C25H18N2O4S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 5.352
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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