COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801975
Chemical Name: methyl(3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate
Smiles: COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 608.69
Empirical Formula: C33H40N2O9

Physical State: Dry powder
Available Amount: 1006 mg

Lipinsky:
logP: 4.046
Rotatable bonds: 5
H-donors: 1
H-acceptors: 9
PSA: 117
Number of rings: 6

     

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