COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800889
Chemical Name: (2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/S(=O)(=O)c1ccccc1

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Molecular Weight: 499.59
Empirical Formula: C28H25N3O4S

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 5.154
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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