COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548476
Chemical Name: 4-[(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)amino]butanoicacid
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCCCC(=O)O)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 555.63
Empirical Formula: C29H37N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.471
Rotatable bonds: 12
H-donors: 4
H-acceptors: 8
PSA: 152
Number of rings: 3

     

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