COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK519499
Chemical Name: ethyl6-amino-4-(1,3-benzodioxol-4-yl)-5-cyano-2-[(7H-purin-6-ylsulfanyl)methyl]-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2ncnc3c2[nH]cn3)OC(=C(C1c1cccc2c1OCO2)C#N)N

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Molecular Weight: 478.49
Empirical Formula: C22H18N6O5S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 2.474
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 183
Number of rings: 5

     

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