COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566532
Chemical Name: (E)-(3-chloro-4-methoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CC[NH+](C)C)/[O-]

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Molecular Weight: 415.88
Empirical Formula: C21H22ClN3O4

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.312
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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