COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800577
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Smiles: N#C/C(=C\c1c(Oc2ccc(cc2)CC)nc2n(c1=O)cccc2C)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 492.56
Empirical Formula: C25H24N4O5S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 1.461
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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