COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372821
Chemical Name: 4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl2,6-diamino-2,6-dideoxyhexopyranoside
Smiles: OCC1OC(C(C1OC1OC(CN)C(C(C1N)O)O)O)OC1C(O)C(N)CC(C1OC1OC(CN)C(C(C1N)O)O)N

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Saltdata: 3H2SO4, 3H2O
Molecular Weight: 614.65
Empirical Formula: C23H46N6O13

Physical State: Dry powder
Available Amount: 1012 mg

Lipinsky:
logP: -3.655
Rotatable bonds: 16
H-donors: 19
H-acceptors: 13
PSA: 353
Number of rings: 4

     

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