COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549510
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(thiomorpholin-4-ylsulfonyl)ethyl]-L-alaninamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 648.8
Empirical Formula: C30H40N4O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.44
Rotatable bonds: 8
H-donors: 3
H-acceptors: 8
PSA: 186
Number of rings: 4

     

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