COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528537
Chemical Name: (1R,3Z,5R,7E)-3,7-bis(3-nitrobenzylidene)bicyclo[3.3.1]nonane-2,6-dione
Smiles: O=C1[C@@H]2C[C@H](C/C/1=C\c1cccc(c1)[N+](=O)[O-])C(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/C2

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Molecular Weight: 418.41
Empirical Formula: C23H18N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.859
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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