COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527810
Chemical Name: (1S,2Z,5R)-2-(1-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}ethylidene)-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Smiles: OCC(C(c1ccc(cc1)[N+](=O)[O-])O)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C

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Molecular Weight: 360.41
Empirical Formula: C19H24N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.152
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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