COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755293
Chemical Name: 3,5-dinitro-N'-[(1S,2R,4S,5Z,6R)-3-(thiophen-2-ylcarbonyl)-7,9-dioxatricyclo[4.2.1.0~2,4~]non-5-ylidene]benzohydrazide
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N/N=C/1\[C@@H]2OC[C@@H](O2)[C@@H]2[C@H]1C2C(=O)c1cccs1

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Molecular Weight: 458.41
Empirical Formula: C19H14N4O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.326
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 196
Number of rings: 5

     

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