COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680470
Chemical Name: 2-({7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoicacid
Smiles: OC(=O)C(Sc1nc2c(n1Cc1cc3OCOc3cc1Cl)c(=O)n(c(=O)n2C)C)C

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Molecular Weight: 452.88
Empirical Formula: C18H17ClN4O6S

Available Amount: 0 mg

Lipinsky:
logP: 3.692
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 139
Number of rings: 4

     

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