COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549497
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-L-isoleucinamide
Smiles: COCCN(C(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C[C@@H]1CCCN2[C@@H]1CCCC2

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Molecular Weight: 706.92
Empirical Formula: C40H58N4O7

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 4.213
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 118
Number of rings: 5

     

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