COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679014
Chemical Name: 7-(2-chlorobenzyl)-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: CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)CSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 579.12
Empirical Formula: C29H31ClN6O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.069
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 6

     

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