COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL330214
Chemical Name: 3-(4-chlorophenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
Smiles: CC1CCC(C(C1)OC(=O)C[n+]1cc(n2c1CCCCC2)c1ccc(cc1)Cl)C(C)C

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Saltdata: Cl-
Molecular Weight: 444.04
Empirical Formula: C26H36ClN2O2

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 35
Number of rings: 4

     

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