COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541712
Chemical Name: tert-butyl(1-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}piperidin-4-yl)carbamate
Smiles: CC[C@H]([C@@H](C(=O)N1CCC(CC1)NC(=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: 680.84
Empirical Formula: C37H52N4O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.76
Rotatable bonds: 8
H-donors: 3
H-acceptors: 8
PSA: 144
Number of rings: 4

     

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