COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542491
Chemical Name: (E)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)alaninamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)NC(C(=O)/N=c\1/sc2c([nH]1)CCCC2)C

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Molecular Weight: 592.72
Empirical Formula: C31H36N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.35
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 152
Number of rings: 5

     

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