COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799785
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1c(Oc2ccccc2)nc2n(c1=O)cccc2)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 450.47
Empirical Formula: C22H18N4O5S

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: -0.121
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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