COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550823
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-ylmethioninamide
Smiles: CSCCC(C(=O)Nc1nnc[nH]1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 582.68
Empirical Formula: C28H34N6O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.992
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 181
Number of rings: 4

     

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