COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149608
Chemical Name: (E)-{2-(4-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CCCn1cc[nH+]c1)/[O-])C

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Molecular Weight: 541.4
Empirical Formula: C25H25BrN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.816
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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