COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549786
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(1-methyl-1H-1,2,4-triazol-3-yl)ethyl]-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)NCCc1ncn(n1)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 606.72
Empirical Formula: C32H42N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.076
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 145
Number of rings: 4

     

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