COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK724704
Chemical Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-7'-nitro-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: COc1ccc(cc1OC)CCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCC1)[N+](=O)[O-]

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Molecular Weight: 494.5
Empirical Formula: C25H26N4O7

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 4.192
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 134
Number of rings: 5

     

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