COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150231
Chemical Name: (E)-{2-[4-(dimethylamino)phenyl]-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCC[NH+](C)C)/[O-]

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Molecular Weight: 463.58
Empirical Formula: C27H33N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.981
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 77
Number of rings: 4

     

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