COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546309
Chemical Name: N-(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)-L-isoleucine
Smiles: CC[C@H]([C@@H](C(=O)O)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 583.68
Empirical Formula: C31H41N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.319
Rotatable bonds: 11
H-donors: 4
H-acceptors: 8
PSA: 152
Number of rings: 3

     

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