COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040010
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(cc1)C(C)C)C

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Molecular Weight: 464.56
Empirical Formula: C27H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.522
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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