COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045635
Chemical Name: (E)-(4-butoxy-3-methylphenyl){2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 552.67
Empirical Formula: C31H40N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.77
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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