COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540415
Chemical Name: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)Nc1ccc(cc1)Cn1ncnc1)NC(=O)C

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Molecular Weight: 654.77
Empirical Formula: C36H42N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.482
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 145
Number of rings: 5

     

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