COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540237
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({(2S)-4-(methylsulfanyl)-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: CSCC[C@@H](C(=O)N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 764.94
Empirical Formula: C40H52N4O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.881
Rotatable bonds: 11
H-donors: 2
H-acceptors: 9
PSA: 162
Number of rings: 5

     

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