COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543542
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)N[C@H](c2nnc3n2cccc3)CC(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 656.78
Empirical Formula: C36H44N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.54
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 145
Number of rings: 5

     

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