COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054580
Chemical Name: 3-(2-methoxyethyl)-11-{[(E)-(3-nitrophenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 443.42
Empirical Formula: C22H17N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.44
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 130
Number of rings: 5

     

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