COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040220
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)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(C1c1cc(OC)c(c(c1)OC)OC)Cc1ccc[nH+]c1)/[O-])C

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Molecular Weight: 549.58
Empirical Formula: C29H31N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.256
Rotatable bonds: 8
H-donors: 2
H-acceptors: 8
PSA: 144
Number of rings: 4

     

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