COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL102375
Chemical Name: Docetaxel
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: Dry powder
Available Amount: 10 mg

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

     

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