COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049618
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(c2ccc(cc2)O)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 452.55
Empirical Formula: C26H32N2O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.454
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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