Molecule

ID:103162

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₅N₅O₆
Molecular Mass
513.586
Exact Mass
513.25873387
Charge
0
InChI
InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)
InChIKey
HPZJMUBDEAMBFI-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)C(N(C(=O)CNC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)C)Cc1ccccc1
Isomeric Smiles
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO
Calculated Properties
JChem
Acid pKa
9.510376
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-2.9699023
LogD (pH = 7.4)
-1.2990922
Log P
-0.93769467
Molar Refractivity
137.0224
Polarizability
53.33679
Polar Surface Area
174.09
Rotatable Bonds
13
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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