COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904125
Chemical Name: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/S(=O)(=O)c1ccccc1

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Molecular Weight: 434.52
Empirical Formula: C23H22N4O3S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 2.169
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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