COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551083
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)butanamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1c(C)nn(c1C)C)NC(=O)C

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Molecular Weight: 577.68
Empirical Formula: C31H39N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.364
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 132
Number of rings: 4

     

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