Molecule

ID:133817

General Information
Structure
MolImage
Molecular Formula
C₃₀H₃₅N₅O₅
Molecular Mass
545.6294
Exact Mass
545.26381925
Charge
0
InChI
InChI=1S/C30H35N5O5/c1-19(33-29(39)24(31)16-22-12-14-23(36)15-13-22)28(38)35-26(18-21-10-6-3-7-11-21)30(40)34-25(27(32)37)17-20-8-4-2-5-9-20/h2-15,19,24-26,36H,16-18,31H2,1H3,(H2,32,37)(H,33,39)(H,34,40)(H,35,38)
InChIKey
MVUYXNQARFGHMJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)Cc1ccccc1)C)N
Isomeric Smiles
CC(C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C(Cc1ccc(cc1)O)N
Calculated Properties
JChem
Acid pKa
9.509919
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-0.5020618
LogD (pH = 7.4)
1.1687475
Log P
1.530024
Molar Refractivity
150.0496
Polarizability
58.58666
Polar Surface Area
176.64
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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