COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544312
Chemical Name: (2S)-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}amino)(phenyl)ethanoicacid
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)O)C(C)C)NC(=O)C

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Molecular Weight: 617.7
Empirical Formula: C34H39N3O8

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.106
Rotatable bonds: 8
H-donors: 4
H-acceptors: 8
PSA: 152
Number of rings: 4

     

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