COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK272008
Chemical Name: 2,2'-[1,4-diazepane-1,4-diylbis(sulfonylbenzene-4,1-diyl)]bis[1,5-dimethyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one]
Smiles: CC(c1c(C)n(n(c1=O)c1ccc(cc1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)n1c(=O)c(c(n1C)C)C(C)C)C)C

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Molecular Weight: 684.88
Empirical Formula: C33H44N6O6S2

Physical State: Dry powder
Available Amount: 191 mg

Lipinsky:
logP: 2.175
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 138
Number of rings: 5

     

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