COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593479
Chemical Name: (E)-{1'-[2-(dimethylammonio)ethyl]-2,4',5'-trioxo-1-(prop-2-en-1-yl)-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)CC=C)CC[NH+](C)C)/[O-]

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Molecular Weight: 489.57
Empirical Formula: C28H31N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.66
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 94
Number of rings: 4

     

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