COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550784
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-4H-1,2,4-triazol-3-ylisoleucinamide
Smiles: CCC(C(C(=O)Nc1nnc[nH]1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 564.64
Empirical Formula: C29H36N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.35
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 156
Number of rings: 4

     

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