COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551104
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-cyclobutyl-1H-1,2,4-triazol-5-yl)isoleucinamide
Smiles: CCC(C(C(=O)Nc1[nH]nc(n1)C1CCC1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 618.73
Empirical Formula: C33H42N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.535
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 156
Number of rings: 5

     

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