COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551517
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl}isoleucinamide
Smiles: CCC(C(C(=O)Nc1[nH]nc(n1)CCc1ccc(c(c1)OC)OC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 728.85
Empirical Formula: C39H48N6O8

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.533
Rotatable bonds: 13
H-donors: 4
H-acceptors: 8
PSA: 175
Number of rings: 5

     

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