COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083809
Chemical Name: (1alpha,5xi,9xi,10xi,14alpha)-20-ethyl-8-hydroxy-1,16-dimethoxy-4-(methoxymethyl)aconitan-14-ylbenzoate
Smiles: COC[C@]12CC[C@@H]([C@@]34C2C[C@H](C3N(C1)CC)[C@@]1(C2C4C[C@@H]([C@@H]2OC(=O)c2ccccc2)[C@H](C1)OC)O)OC

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Saltdata: HClO4
Molecular Weight: 525.69
Empirical Formula: C31H43NO6

Physical State: Dry powder
Available Amount: 23 mg

Lipinsky:
logP: 2.304
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 77
Number of rings: 7

     

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