COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549456
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({(2S)-4-(methylsulfanyl)-1-oxo-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CSCC[C@@H](C(=O)N1CCCC1c1nnc2n1cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 686.83
Empirical Formula: C36H42N6O6S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 2.908
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 161
Number of rings: 6

     

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