COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541690
Chemical Name: (E)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene)isoleucinamide
Smiles: CCC(C(C(=O)/N=c\1/sc2c([nH]1)CCCCC2)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 648.82
Empirical Formula: C35H44N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.324
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 152
Number of rings: 5

     

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