COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588681
Chemical Name: 4-imino-9,10-dimethoxy-2-(3-nitrophenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc2CCn3c(c2cc1OC)cc(c(c3=N)C#N)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 402.41
Empirical Formula: C22H18N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.763
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 4

     

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