COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059289
Chemical Name: 1,1'-bis[2-(4-chlorophenyl)-2-oxoethyl]-6,6',7,7',8,8',9,9'-octahydro-5H,5'H-3,3'-bi[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: Clc1ccc(cc1)C(=O)C[n+]1nc(n2c1CCCCC2)c1n[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl

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Saltdata: 2 Br-
Molecular Weight: 579.53
Empirical Formula: C30H32Cl2N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 77
Number of rings: 6

     

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