COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048083
Chemical Name: (E)-{2-(3-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CC[NH+](C)C)/[O-])C

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Molecular Weight: 501.42
Empirical Formula: C25H29BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.43
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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