COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684976
Chemical Name: 4-nitro-5-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]piperazin-1-yl}benzene-1,2-dicarbonitrile
Smiles: N#Cc1cc(N2CCN(CC2)C23C[C@@H]4C[C@H](C3)C[C@H](C2)C4)c(cc1C#N)[N+](=O)[O-]

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Molecular Weight: 391.47
Empirical Formula: C22H25N5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.517
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 99
Number of rings: 6

     

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