COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL451051
Chemical Name: 4,10-bis(acetyloxy)-1,7-dihydroxy-13-({2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-ylbenzoate
Smiles: CC(=O)OC1C(=O)C2(C)C(O)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C

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Molecular Weight: 853.92
Empirical Formula: C47H51NO14

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 7.377
Rotatable bonds: 14
H-donors: 4
H-acceptors: 14
PSA: 221
Number of rings: 7

     

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