COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK601351
Chemical Name: (4E)-1-[2-(dimethylamino)ethyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CN(CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O)C

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Molecular Weight: 515.57
Empirical Formula: C29H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.094
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 115
Number of rings: 4

     

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