COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551129
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-L-isoleucinamide
Smiles: COc1ccc2c(c1)c(c1csc(n1)NC(=O)[C@H]([C@@H](CC)C)Nc1ccc3c(cc1=O)[C@H](CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)c([nH]2)C

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Molecular Weight: 739.89
Empirical Formula: C40H45N5O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.461
Rotatable bonds: 8
H-donors: 4
H-acceptors: 7
PSA: 181
Number of rings: 6

     

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