COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800851
Chemical Name: (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methylphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)Nc1cccc(c1)C

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Saltdata: 1/3CH3COOH
Molecular Weight: 478.55
Empirical Formula: C29H26N4O3

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 5.424
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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