COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548874
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({(2S)-3-methyl-1-[(2S)-2-(1-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-oxopentan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CC[C@H]([C@@H](C(=O)N1CCC[C@H]1c1nc2c(n1C)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 681.83
Empirical Formula: C39H47N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.32
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 124
Number of rings: 6

     

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