COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548740
Chemical Name: N-[(7S)-10-({6-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-6-oxohexyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)N2CC[C@@]3([C@H](C2)CCCC3)O)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 635.8
Empirical Formula: C36H49N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.247
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 126
Number of rings: 5

     

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