COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550594
Chemical Name: methyl2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}amino)-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1nc(sc1CCc1ccccc1)NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 728.87
Empirical Formula: C39H44N4O8S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.331
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 182
Number of rings: 5

     

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