COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL455067
Chemical Name: (7alpha)-4-(acetyloxy)-13-({(1Z)-1,2-dihydroxy-3-phenyl-3-[(phenylcarbonyl)amino]prop-1-en-1-yl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-ylbenzoate
Smiles: CC(=O)OC12COC1C[C@H](C1(C2C(OC(=O)c2ccccc2)C2(O)CC(O/C(=C(/C(c3ccccc3)NC(=O)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: 8.61
Rotatable bonds: 12
H-donors: 6
H-acceptors: 13
PSA: 218
Number of rings: 7

     

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