COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL513345
Chemical Name: 3-{7-[2-(dimethylamino)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl3,4,5-trimethoxybenzoate
Smiles: COc1c(OC)cc(cc1OC)C(=O)OCCCn1c(=O)c2n(CCN(C)C)cnc2n(c1=O)C

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Saltdata: HCl
Molecular Weight: 489.53
Empirical Formula: C23H31N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.068
Rotatable bonds: 9
H-donors: 0
H-acceptors: 7
PSA: 115
Number of rings: 3

     

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