COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819061
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)/c1nc2c([nH]1)cccc2

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Molecular Weight: 453.89
Empirical Formula: C25H16ClN5O2

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 4.854
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 5

     

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