COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905982
Chemical Name: 1-(3-{(1E)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)/C(=O)NCCc1ccccc1

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Saltdata: 2/3CH3COOH
Molecular Weight: 484.56
Empirical Formula: C27H28N6O3

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 0.412
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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