COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541402
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({(2S)-3-methyl-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]butan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c(OC)ccc(c1OC)CN1CCN(CC1)C(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 732.87
Empirical Formula: C40H52N4O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.708
Rotatable bonds: 9
H-donors: 2
H-acceptors: 9
PSA: 137
Number of rings: 5

     

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