Molecule

ID:106135

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₂FN₃O₅
Molecular Mass
507.6378832
Exact Mass
507.31084968
Charge
0
InChI
InChI=1S/C27H42FN3O5/c1-17(2)12-21(24(32)15-28)29-25(33)22(13-18(3)4)30-26(34)23(14-19(5)6)31-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-23H,12-16H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)
InChIKey
HLXJVMRDGBCZCM-UHFFFAOYSA-N
Canonic Smiles
FCC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
Isomeric Smiles
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF
Calculated Properties
JChem
Acid pKa
12.04407
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
4.676661
LogD (pH = 7.4)
4.6766524
Log P
4.6766615
Molar Refractivity
135.3541
Polarizability
53.12192
Polar Surface Area
113.6
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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