COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541329
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-prop-2-en-1-yl-L-isoleucinamide
Smiles: C=CCNC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 537.66
Empirical Formula: C30H39N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.491
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 114
Number of rings: 3

     

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