COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577498
Chemical Name: 3-(1,3-benzodioxol-5-ylmethyl)-2',6'-dihydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-]

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Molecular Weight: 479.45
Empirical Formula: C23H21N5O7

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.799
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 153
Number of rings: 6

     

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