COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177116
Chemical Name: (5E)-2-amino-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C/1\C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C

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Molecular Weight: 510.47
Empirical Formula: C26H18N6O6

Physical State: Dry powder
Available Amount: 533 mg

Lipinsky:
logP: 5.335
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 196
Number of rings: 4

     

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