COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL556176
Chemical Name: (1beta,2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-ylbenzoate
Smiles: CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O

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Molecular Weight: 807.89
Empirical Formula: C43H53NO14

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 6.546
Rotatable bonds: 7
H-donors: 5
H-acceptors: 14
PSA: 224
Number of rings: 6

     

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