COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678305
Chemical Name: 3-methyl-7-{3-[(2Z)-piperidin-2-ylideneamino]propyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCC/N=C\1/CCCCN1)cn2)C

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Saltdata: HCl
Molecular Weight: 304.35
Empirical Formula: C14H20N6O2

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 0.763
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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