COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK370471
Chemical Name: 2,2'-ethyne-1,2-diylbis[5-({4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Smiles: CC1(C)CC(Nc2nc(Nc3ccc(c(c3)S(=O)(=O)[O-])C#Cc3ccc(cc3S(=O)(=O)[O-])Nc3nc(NC4CC(C)(C)NC(C4)(C)C)nc(n3)NC3CC(C)(C)NC(C3)(C)C)nc(n2)NC2CC(C)(C)NC(C2)(C)C)CC(N1)(C)C

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Saltdata: 2Na+
Molecular Weight: 1141.52
Empirical Formula: C56H84N16O6S2

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 5.818
Rotatable bonds: 4
H-donors: 10
H-acceptors: 6
PSA: 328
Number of rings: 8

     

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