COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532175
Chemical Name: 2-[3,7-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl3,4,5-trimethoxybenzoate
Smiles: COc1c(OC)cc(cc1OC)C(=O)OCCn1c(=O)c2n(C)c(nc2n(c1=O)C)N1CCN(CC1)C

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Saltdata: C5H5NCOOH
Molecular Weight: 516.55
Empirical Formula: C24H32N6O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.575
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 118
Number of rings: 4

     

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