COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904649
Chemical Name: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 455.54
Empirical Formula: C22H25N5O4S

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: -0.827
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 4

     

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