COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512296
Chemical Name: (2E)-1-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Smiles: COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C

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Molecular Weight: 433.59
Empirical Formula: C28H35NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.767
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 4

     

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