COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045807
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+](C)C)/[O-])C

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Molecular Weight: 459.57
Empirical Formula: C23H29N3O5S

Physical State: Dry powder
Available Amount: 270 mg

Lipinsky:
logP: 4.525
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 135
Number of rings: 3

     

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