COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551534
Chemical Name: (Z)-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2(3H)-ylidene]-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)/N=c/1\scc([nH]1)c1ccc2c(c1)OCCCO2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 728.87
Empirical Formula: C39H44N4O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.489
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 171
Number of rings: 6

     

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