COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007556
Chemical Name: 1-(2-{[3-(ethoxycarbonyl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
Smiles: CCOC(=O)C1=C(NC(=O)C[n+]2cc(n3c2CCC3)c2ccccc2)SC2C1CCCC2

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Saltdata: Cl-
Molecular Weight: 452.6
Empirical Formula: C25H30N3O3S

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 5

     

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