COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591604
Chemical Name: 1'-[2-(3,4-dimethoxyphenyl)ethyl]-2'-hydroxy-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-])O

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Molecular Weight: 522.56
Empirical Formula: C27H30N4O7

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.266
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 137
Number of rings: 5

     

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