COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK997346
Chemical Name: 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCC(CC1)C(=O)N)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 484.54
Empirical Formula: C22H24N6O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -3.356
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 174
Number of rings: 4

     

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