COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544926
Chemical Name: (Z)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]isoleucinamide
Smiles: CCC(C(C(=O)/N=c/1\scc([nH]1)c1cccnc1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 657.79
Empirical Formula: C35H39N5O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.099
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 165
Number of rings: 5

     

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