COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546390
Chemical Name: N-[(7S)-10-{[(2S)-1-(6-bromo-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CSCC[C@@H](C(=O)N1CCc2c(C1)c1cccc(c1[nH]2)Br)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 749.73
Empirical Formula: C37H41BrN4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.651
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 147
Number of rings: 6

     

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