COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551321
Chemical Name: tert-butyl{(4R,6R)-6-[2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl}amino)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C)C)NC(=O)C

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Molecular Weight: 711.85
Empirical Formula: C38H53N3O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.232
Rotatable bonds: 11
H-donors: 3
H-acceptors: 10
PSA: 159
Number of rings: 4

     

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