COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151131
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-[4-(dimethylamino)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2ccc(cc2)N(C)C)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 491.63
Empirical Formula: C29H37N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.043
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 77
Number of rings: 4

     

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