COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679428
Chemical Name: 7-(3,4-diethoxybenzyl)-8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOc1cc(ccc1OCC)Cn1c(SCC(=O)N2c3ccc(cc3C3C2CCN(C3)C)C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 632.78
Empirical Formula: C33H40N6O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.274
Rotatable bonds: 9
H-donors: 0
H-acceptors: 5
PSA: 125
Number of rings: 6

     

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