COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK705483
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2C)/c1nc2c([nH]1)cccc2

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Molecular Weight: 447.5
Empirical Formula: C27H21N5O2

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 5.36
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 5

     

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