COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551442
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(1H-indol-2-yl)-1H-1,2,4-triazol-5-yl]isoleucinamide
Smiles: CCC(C(C(=O)Nc1[nH]nc(n1)c1cc2c([nH]1)cccc2)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 679.78
Empirical Formula: C37H41N7O6

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.348
Rotatable bonds: 9
H-donors: 5
H-acceptors: 6
PSA: 172
Number of rings: 6

     

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