COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL033779
Chemical Name: 1,1'-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
Smiles: OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=N)N)O)NC(=N)N)OC(C2(O)CO)C)C(C(C1O)O)NC

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Saltdata: 3/2H2SO4
Molecular Weight: 583.6
Empirical Formula: C21H41N7O12

Physical State: Dry powder
Available Amount: 1003 mg

Lipinsky:
logP: -3.381
Rotatable bonds: 17
H-donors: 17
H-acceptors: 12
PSA: 334
Number of rings: 3

     

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