COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL454969
Chemical Name: (9E)-8-ethyl-5,19-dihydroxy-3-[(1E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypy
Smiles: CCC1/C=C(\C)/CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)/C(=C/C1CCC(C(C1)OC)O)/C)CCCC2

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Molecular Weight: 792.02
Empirical Formula: C43H69NO12

Available Amount: 0 mg

Lipinsky:
logP: 3.806
Rotatable bonds: 9
H-donors: 3
H-acceptors: 12
PSA: 178
Number of rings: 4

     

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