COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549017
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)NC1CCCc2c1[nH]c1c2cccc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 666.82
Empirical Formula: C39H46N4O6

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 5.191
Rotatable bonds: 7
H-donors: 4
H-acceptors: 6
PSA: 130
Number of rings: 6

     

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