COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041254
Chemical Name: 2-methyl-2-{4-[5-(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)-1,3,4-oxadiazol-2-yl]benzyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1nnc(o1)c1ccc(cc1)C[N+]1(C)CCc2c(C1)c1ccccc1[nH]2

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Saltdata: Br-
Molecular Weight: 590.73
Empirical Formula: C34H32N5O3S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.741
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 109
Number of rings: 7

     

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