COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK749460
Chemical Name: ethyne-1,2-diyldicyclohexane-1,1-diylbis(3-nitrobenzoate)
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])OC1(CCCCC1)C#CC1(CCCCC1)OC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 520.54
Empirical Formula: C28H28N2O8

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 7.583
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 144
Number of rings: 4

     

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