COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546454
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl}methioninamide
Smiles: CSCCC(C(=O)Nc1cccc(c1)c1n[nH]c(n1)COC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 702.83
Empirical Formula: C36H42N6O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.053
Rotatable bonds: 12
H-donors: 4
H-acceptors: 7
PSA: 191
Number of rings: 5

     

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