COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549881
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[3-(1,1-dioxido-1,2-thiazinan-2-yl)-4-methoxyphenyl]butanamide
Smiles: COc1ccc(cc1N1CCCCS1(=O)=O)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 708.83
Empirical Formula: C36H44N4O9S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.309
Rotatable bonds: 8
H-donors: 3
H-acceptors: 9
PSA: 169
Number of rings: 5

     

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