COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545022
Chemical Name: tert-butyl4-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}piperazine-1-carboxylate
Smiles: CC[C@H]([C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 666.82
Empirical Formula: C36H50N4O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.048
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 135
Number of rings: 4

     

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