COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905641
Chemical Name: (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
Smiles: C=CCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 512.57
Empirical Formula: C28H28N6O4

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 1.834
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 110
Number of rings: 5

     

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