Molecule

ID:62142

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈FN₃O
Molecular Mass
381.4863232
Exact Mass
381.22164075
Charge
0
InChI
InChI=1S/C23H28FN3O/c1-23-12-4-13-26(2)21(23)5-3-14-27(23)22(28)18-8-11-20(25-16-18)15-17-6-9-19(24)10-7-17/h6-11,16,21H,3-5,12-15H2,1-2H3/t21-,23-/m0/s1
InChIKey
PEGWXHPUZXECPH-GMAHTHKFSA-N
Canonic Smiles
Fc1ccc(cc1)Cc1ccc(cn1)C(=O)N1CCC[C@H]2[C@]1(C)CCCN2C
Isomeric Smiles
N1([C@@]2([C@@H](N(CCC2)C)CCC1)C)C(=O)c1cnc(Cc2ccc(F)cc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.29587635
LogD (pH = 7.4)
1.9691954
Log P
3.392328
Molar Refractivity
109.3824
Polarizability
41.75353
Polar Surface Area
36.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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