COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543989
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({(2S)-3-methyl-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(C)C)NC(=O)C

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Molecular Weight: 656.78
Empirical Formula: C37H44N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.982
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 126
Number of rings: 6

     

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