COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531908
Chemical Name: 2-(1-benzyl-1H-indol-3-yl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Smiles: [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cn(c2c1cccc2)Cc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 461.52
Empirical Formula: C25H27N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.476
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 103
Number of rings: 7

     

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