COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032904
Chemical Name: (2E)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(4-nitrophenyl)prop-2-en-1-one
Smiles: O=C(N1CC[C@@]2([C@H](C1)CCCC2)O)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 330.38
Empirical Formula: C18H22N2O4

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 2.604
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 86
Number of rings: 3

     

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