COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL012341
Chemical Name: (10xi)-20-ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl2-(acetylamino)benzoate
Smiles: CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@@H](CC23)[C@@]1(O)C[C@@H]([C@H]2CC4[C@]1(O)[C@H]2OC)OC)OC)OC(=O)c1ccccc1NC(=O)C

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Saltdata: HBr
Molecular Weight: 584.71
Empirical Formula: C32H44N2O8

Physical State: Dry powder
Available Amount: 1021 mg

Lipinsky:
logP: 2.126
Rotatable bonds: 5
H-donors: 3
H-acceptors: 8
PSA: 126
Number of rings: 7

     

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