COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673700
Chemical Name: (3beta,8xi,9xi,14xi,16alpha,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)pregn-5-en-3-ylacetate
Smiles: [O-][N+](=O)C[C@@H]1CC2[C@]([C@H]1/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C)(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C

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Molecular Weight: 597.67
Empirical Formula: C30H39N5O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.986
Rotatable bonds: 1
H-donors: 1
H-acceptors: 8
PSA: 188
Number of rings: 5

     

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