COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK950845
Chemical Name: 4-[(9H-purin-6-ylsulfanyl)methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)CSc1ncnc2c1nc[nH]2

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Saltdata: HN(C6H11)2
Molecular Weight: 286.31
Empirical Formula: C13H10N4O2S

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 1.744
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 117
Number of rings: 3

     

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