COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546009
Chemical Name: N-[(7S)-10-{[(2S)-1-(6-bromo-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-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: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCc3c(C2)c2cccc(c2[nH]3)Br)C(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 717.66
Empirical Formula: C37H41BrN4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.478
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 121
Number of rings: 6

     

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