COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538599
Chemical Name: 2-{(2S)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Smiles: CC([C@H](N1Cc2c(C1=O)cccc2)C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O)C

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Molecular Weight: 370.49
Empirical Formula: C22H30N2O3

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.171
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 60
Number of rings: 4

     

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