COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563174
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 490.51
Empirical Formula: C27H26N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.811
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 111
Number of rings: 4

     

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