COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL491564
Chemical Name: 3-{[3',5-dimethyl-2,6'-dioxo-1'-(7H-purin-6-yl)-1',5',6',7'-tetrahydrospiro[indole-3,4'-pyrazolo[3,4-b]pyridin]-1(2H)-yl]methyl}benzonitrile
Smiles: N#Cc1cccc(c1)CN1c2ccc(cc2C2(C1=O)CC(=O)Nc1c2c(C)nn1c1ncnc2c1[nH]cn2)C

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Molecular Weight: 515.53
Empirical Formula: C28H21N9O2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.666
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 145
Number of rings: 7

     

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