COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529249
Chemical Name: 3,3'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyldisulfonyl)bis(1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one)
Smiles: O=c1cccc2n1CC1CC2CN(C1)S(=O)(=O)c1ccc2c(c1)OCCOCCOc1c(OCCOCCO2)cc(cc1)S(=O)(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 864.99
Empirical Formula: C42H48N4O12S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.874
Rotatable bonds: 2
H-donors: 0
H-acceptors: 12
PSA: 187
Number of rings: 9

     

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