COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058996
Chemical Name: 3,12-bis{3-[4-(diethylcarbamoyl)piperazin-1-yl]-2-hydroxypropyl}-3,12-diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane
Smiles: CCN(C(=O)N1CCN(CC1)CC(CN1CC[N+]2(CC1)CC[N+]1(CC2)CCN(CC1)CC(CN1CCN(CC1)C(=O)N(CC)CC)O)O)CC

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Saltdata: 2 Cl-, 4 H2O
Molecular Weight: 709.03
Empirical Formula: C36H72N10O4

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 1.287
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 5

     

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