COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL451025
Chemical Name: 6-{[6-{[(11E,13E)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(propanoyloxy)tetrahydro-2H-pyran-3-yl]oxy}-4-
Smiles: O=CCC1CC(C)C(O)/C=C/C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1OC(=O)CC)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC(C)C)OC)OC(=O)C)C

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Molecular Weight: 884.07
Empirical Formula: C45H73NO16

Available Amount: 0 mg

Lipinsky:
logP: 4.883
Rotatable bonds: 18
H-donors: 2
H-acceptors: 16
PSA: 212
Number of rings: 3

     

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