COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324527
Chemical Name: {[3- methyl- 2,6- dioxo- 7- (2- phenylethyl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

Download SD file Download MOL file View 3D-structure Show MSDS

Saltdata: cyClo-[(CH2)2O(CH2)2NH2+]
Molecular Weight: 359.39
Empirical Formula: C16H15N4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.46
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 132
Number of rings: 3

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