COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050818
Chemical Name: 1-(2-{[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl)-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: CCOC(=O)c1c(NC(=O)Cn2cc([n+]3c2CCC3)c2ccccc2)sc2c1CCC2

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Saltdata: Cl-
Molecular Weight: 436.55
Empirical Formula: C24H26N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 92
Number of rings: 5

     

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