COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673676
Chemical Name: (3beta,8xi,9xi,14xi,16alpha,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)pregn-5-en-3-ol
Smiles: O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@@H]2/C(=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C)C[N+](=O)[O-])C)C1)C

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Molecular Weight: 555.63
Empirical Formula: C28H37N5O7

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 7.131
Rotatable bonds: 0
H-donors: 2
H-acceptors: 7
PSA: 182
Number of rings: 5

     

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