COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550565
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)Nc1ccc(cc1)N1CCCCS1(=O)=O)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 706.86
Empirical Formula: C37H46N4O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.967
Rotatable bonds: 6
H-donors: 3
H-acceptors: 8
PSA: 160
Number of rings: 5

     

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