COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK704984
Chemical Name: (2E)-2-[(4-chlorophenyl)sulfonyl]-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2)/S(=O)(=O)c1ccc(cc1)Cl

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Molecular Weight: 491.95
Empirical Formula: C25H18ClN3O4S

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 4.652
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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