COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552699
Chemical Name: (1alpha,5xi,9xi,10xi,14alpha)-20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triyltriacetate
Smiles: CO[C@H]1C[C@]2(OC(=O)C)[C@@H]3CC4[C@@]5(C6C[C@H]1[C@@H](C26)OC(=O)C)C3N(CC)C[C@]4(C)CC[C@@H]5OC(=O)C

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Molecular Weight: 503.64
Empirical Formula: C28H41NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.865
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 91
Number of rings: 6

     

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