COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484045
Chemical Name: 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridinium
Smiles: NCCOCC1=C(C(=O)OCC)C(C(=C([NH2+]1)C)C(=O)OC)c1ccccc1Cl

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Saltdata: C6H5SO3-
Molecular Weight: 409.89
Empirical Formula: C20H26ClN2O5

Available Amount: 0 mg

Lipinsky:
logP: 4.157
Rotatable bonds: 10
H-donors: 4
H-acceptors: 5
PSA: 104
Number of rings: 2

     

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