Molecule

ID:87762

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₈N₄O
Molecular Mass
364.48392
Exact Mass
364.22631154
Charge
0
InChI
InChI=1S/C22H28N4O/c1-5-25(6-2)19-13-9-17(10-14-19)21-23-24-22(27-21)18-11-15-20(16-12-18)26(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKey
UZGVMZRBRRYLIP-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)c1nnc(o1)c1ccc(cc1)N(CC)CC)CC
Isomeric Smiles
n1c(c2ccc(cc2)N(CC)CC)oc(n1)c1ccc(cc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.609927
LogD (pH = 7.4)
4.647062
Log P
4.6475453
Molar Refractivity
135.0384
Polarizability
43.030327
Polar Surface Area
45.4
Rotatable Bonds
8
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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