COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531106
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}benzoicacid
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)Nc2ccc(cc2)C(=O)O)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 504.54
Empirical Formula: C28H28N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.121
Rotatable bonds: 4
H-donors: 3
H-acceptors: 7
PSA: 123
Number of rings: 4

     

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