COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543169
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2-hydroxyethyl)-L-isoleucinamide
Smiles: OCCNC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 541.64
Empirical Formula: C29H39N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.021
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 135
Number of rings: 3

     

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