COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531216
Chemical Name: 2-{8-[4-(2-hydroxyethyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl3,4,5-trimethoxybenzoate
Smiles: OCCN1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)CCOC(=O)c1cc(OC)c(c(c1)OC)OC

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Saltdata: C5H5NCOOH
Molecular Weight: 546.58
Empirical Formula: C25H34N6O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.308
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 139
Number of rings: 4

     

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