COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547577
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)NCc1nnc2n1cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 628.73
Empirical Formula: C34H40N6O6

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.756
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 145
Number of rings: 5

     

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