COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544887
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-4-(methylsulfanyl)-1-oxo-1-(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)N1CCCC1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 569.72
Empirical Formula: C30H39N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.452
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 131
Number of rings: 4

     

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