COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589626
Chemical Name: N-[3-(1,3-benzodioxol-5-ylmethyl)-2',6'-dihydroxy-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]acetamide
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)NC(=O)C

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Saltdata: CH3COOH
Molecular Weight: 491.5
Empirical Formula: C25H25N5O6

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 1.168
Rotatable bonds: 4
H-donors: 3
H-acceptors: 6
PSA: 136
Number of rings: 6

     

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