COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK368459
Chemical Name: 9-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-O-methyl-beta-D-ribofuranosyl}-N-[(4-tert-butylphenoxy)acetyl]-6-{[3-(4-nitrophenyl)propanoyl]oxy}-5,9-dihydro-4H-purin-2-amine
Smiles: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC)N1C=NC2C1N=C(NC(=O)COc1ccc(cc1)C(C)(C)C)N=C2OC(=O)CCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 969.06
Empirical Formula: C53H56N6O12

Physical State: Dry powder
Available Amount: 2384 mg

Lipinsky:
logP: 8.701
Rotatable bonds: 8
H-donors: 2
H-acceptors: 12
PSA: 217
Number of rings: 8

     

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