COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548006
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(1,1-dioxido-1,2-thiazolidin-2-yl)phenyl]-L-valinamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc(cc2)N2CCCS2(=O)=O)C(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 678.81
Empirical Formula: C35H42N4O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.872
Rotatable bonds: 5
H-donors: 3
H-acceptors: 8
PSA: 160
Number of rings: 5

     

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