COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334990
Chemical Name: (3'E)-8a-hydroxy-3'-(4-nitrobenzylidene)-2-(4-nitrophenyl)hexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
Smiles: [O-][N+](=O)c1ccc(cc1)/C=C/1\CCC2(C1=O)CC1CCCCC1(OC2c1ccc(cc1)[N+](=O)[O-])O

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Molecular Weight: 478.5
Empirical Formula: C26H26N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.047
Rotatable bonds: 1
H-donors: 1
H-acceptors: 7
PSA: 138
Number of rings: 5

     

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