COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547781
Chemical Name: N-[(7S)-10-({(2S)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)cccc2)C(C)C

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Molecular Weight: 653.78
Empirical Formula: C37H43N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.298
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 134
Number of rings: 6

     

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