COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546062
Chemical Name: (2S)-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}amino)(phenyl)ethanoicacid
Smiles: CC[C@@H]([C@@H](C(=O)N[C@@H](c1ccccc1)C(=O)O)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 631.73
Empirical Formula: C35H41N3O8

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.637
Rotatable bonds: 9
H-donors: 4
H-acceptors: 8
PSA: 152
Number of rings: 4

     

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