COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540074
Chemical Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)C

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Molecular Weight: 642.75
Empirical Formula: C36H42N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.843
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 126
Number of rings: 6

     

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