COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543390
Chemical Name: methyl(2S)-[(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)amino](phenyl)ethanoate
Smiles: COC(=O)[C@H](c1ccccc1)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 617.7
Empirical Formula: C34H39N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.909
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 141
Number of rings: 4

     

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