COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546520
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-1-[(2S)-2-(1-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CSCC[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

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Molecular Weight: 699.87
Empirical Formula: C38H45N5O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.961
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 149
Number of rings: 6

     

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