COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL454987
Chemical Name: N-[3-({4-(acetyloxy)-2,7,10-trihydroxy-9-oxo-3-[(phenylcarbonyl)oxy]-5,20-epoxytax-11-en-13-yl}oxy)-2-hydroxy-3-oxo-1-phenylpropyl]benzenecarboximidicacid
Smiles: CC(=O)OC12COC1CC(C1(C2(OC(=O)c2ccccc2)C(O)C2CC(OC(=O)C(C(c3ccccc3)/N=C(/c3ccccc3)\O)O)C(=C(C2(C)C)C(C1=O)O)C)C)O

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Molecular Weight: 811.88
Empirical Formula: C45H49NO13

Available Amount: 0 mg

Lipinsky:
logP: 8.091
Rotatable bonds: 14
H-donors: 5
H-acceptors: 13
PSA: 218
Number of rings: 7

     

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