COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548607
Chemical Name: methyl4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}amino)butanoate
Smiles: CSCC[C@@H](C(=O)NCCCC(=O)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 615.75
Empirical Formula: C31H41N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.476
Rotatable bonds: 12
H-donors: 3
H-acceptors: 8
PSA: 166
Number of rings: 3

     

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