COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043238
Chemical Name: 1,1'-{2,5-bis[(4-butoxyphenyl)carbonyl]hexane-1,6-diyl}bis(1-methylazepanium)
Smiles: CCCCOc1ccc(cc1)C(=O)C(C[N+]1(C)CCCCCC1)CCC(C(=O)c1ccc(cc1)OCCCC)C[N+]1(C)CCCCCC1

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Saltdata: 2 I-
Molecular Weight: 663
Empirical Formula: C42H66N2O4

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.207
Rotatable bonds: 15
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 4

     

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