COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK765684
Chemical Name: 7-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C1C=C(NCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC(C1)(C)C

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Saltdata: HCl
Molecular Weight: 359.43
Empirical Formula: C18H25N5O3

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 1.415
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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