COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565367
Chemical Name: (8xi,9xi,14xi,16Z,17xi,20xi)-26-(acetylamino)-16-[2-(2,4-dinitrophenyl)hydrazinylidene]-22-oxocholest-5-en-3-ylacetate
Smiles: CC(CCC(=O)C(C1/C(=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)C)CNC(=O)C

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Molecular Weight: 693.84
Empirical Formula: C37H51N5O8

Available Amount: 0 mg

Lipinsky:
logP: 7.328
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 188
Number of rings: 5

     

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