Molecule

ID:130933

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₃N₅O₅
Molecular Mass
495.57072
Exact Mass
495.24816918
Charge
0
InChI
InChI=1S/C26H33N5O5/c1-15(27-18(4)32)23(33)29-17(3)26(36)31-13-7-10-22(31)25(35)28-16(2)24(34)30-21-12-11-19-8-5-6-9-20(19)14-21/h5-6,8-9,11-12,14-17,22H,7,10,13H2,1-4H3,(H,27,32)(H,28,35)(H,29,33)(H,30,34)
InChIKey
DSWBHQXKVDSHMW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)Nc1ccc2c(c1)cccc2)C)C)C
Isomeric Smiles
CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)Nc1ccc2ccccc2c1)NC(=O)C
Calculated Properties
JChem
Acid pKa
12.022644
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
0.32702234
LogD (pH = 7.4)
0.3270133
Log P
0.32702252
Molar Refractivity
134.2499
Polarizability
52.612434
Polar Surface Area
136.71
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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