COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677913
Chemical Name: 7-{2-[(2E)-azepan-2-ylideneamino]ethyl}-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CC/N=C/1\CCCCCN1)c(n2)N1CCCCC1

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Saltdata: HCl
Molecular Weight: 401.51
Empirical Formula: C20H31N7O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.69
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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