COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548904
Chemical Name: N-[(7S)-10-{[(2S)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-methyl-1-oxopentan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CC[C@H]([C@@H](C(=O)N1CCC2(C(C1)CCCC2)O)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 635.8
Empirical Formula: C36H49N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.387
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 126
Number of rings: 5

     

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