COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588747
Chemical Name: 3-(1,3-benzodioxol-5-ylmethyl)-6'-hydroxy-8-nitro-3'-(prop-2-en-1-yl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: C=CCN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-])O

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Molecular Weight: 519.51
Empirical Formula: C26H25N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.417
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 140
Number of rings: 6

     

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