COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549364
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)-1H-1,2,4-triazol-5-yl]isoleucinamide
Smiles: CCC(C(C(=O)Nc1[nH]nc(n1)C1COc2c(O1)cccc2)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 698.78
Empirical Formula: C37H42N6O8

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.894
Rotatable bonds: 9
H-donors: 4
H-acceptors: 8
PSA: 175
Number of rings: 6

     

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