COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565045
Chemical Name: [(1alpha,6beta,14alpha)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl2-aminobenzoate
Smiles: CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42C([C@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1N

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Molecular Weight: 586.73
Empirical Formula: C32H46N2O8

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.514
Rotatable bonds: 5
H-donors: 4
H-acceptors: 8
PSA: 132
Number of rings: 7

     

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