COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056223
Chemical Name: (E)-{1-methyl-1'-[3-(morpholin-4-ium-4-yl)propyl]-2,4',5'-trioxo-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)C)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 519.6
Empirical Formula: C29H33N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.346
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 103
Number of rings: 5

     

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