COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564923
Chemical Name: (E)-(3-chloro-4-methoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[NH+](C)C)/[O-]

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Molecular Weight: 429.9
Empirical Formula: C22H24ClN3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.436
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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