COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565097
Chemical Name: (E)-{2-[3-(benzyloxy)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)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(C1c1cccc(c1)OCc1ccccc1)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 549.63
Empirical Formula: C33H31N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.17
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 6

     

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