COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526053
Chemical Name: 4'-{3-[(2,4-dimethylbenzyl)sulfanyl]-5-ethoxy-4H-1,2,4-triazol-4-yl}-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Smiles: CCOc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)SCc1ccc(cc1C)C

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Molecular Weight: 592.81
Empirical Formula: C36H40N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 11.613
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 6

     

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