COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552021
Chemical Name: (4aR)-8-acetyl-5,7-dihydroxy-1-(6-hydroxy-3-methyl-2-oxo-7-propyl-3,7-dihydro-2H-purin-8-yl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: CCCn1c2c(O)nc(=O)n(c2nc1n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C)C

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Molecular Weight: 546.54
Empirical Formula: C27H26N6O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.396
Rotatable bonds: 6
H-donors: 3
H-acceptors: 7
PSA: 172
Number of rings: 6

     

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