COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677838
Chemical Name: 1,3-dimethyl-8-(morpholin-4-yl)-7-{3-[(2E)-piperidin-2-ylideneamino]propyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCC/N=C/1\CCCCN1)c(n2)N1CCOCC1

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Saltdata: HCl
Molecular Weight: 403.48
Empirical Formula: C19H29N7O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.797
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 4

     

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