COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057876
Chemical Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl)Nc1ccc2c(c1)OCO2

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Saltdata: Cl-
Molecular Weight: 431.3
Empirical Formula: C21H18Cl2N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 56
Number of rings: 5

     

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