COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL135980
Chemical Name: {(4E,6E)-12-{[3,6-dideoxy-3-(dimethylamino)hexopyranosyl]oxy}-11-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexadeca-4,6-dien-3-yl}methyl6-deoxy-2,3-d
Smiles: CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(C(C2O)N(C)C)O)C(CCN2CC(C)CC(C2)C)CC(C(=O)/C=C/C(=C/C1COC1OC(C)C(C(C1OC)OC)O)/C)C

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Saltdata: H3PO4
Molecular Weight: 869.15
Empirical Formula: C46H80N2O13

Available Amount: 0 mg

Lipinsky:
logP: 4.954
Rotatable bonds: 14
H-donors: 4
H-acceptors: 13
PSA: 186
Number of rings: 4

     

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