COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532527
Chemical Name: 2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl3,4,5-trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1

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Saltdata: HCl
Molecular Weight: 502.53
Empirical Formula: C23H30N6O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.183
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 127
Number of rings: 4

     

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