Molecule

ID:131911

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₂ClN₅O₅
Molecular Mass
530.01578
Exact Mass
529.20919683
Charge
0
InChI
InChI=1S/C26H32ClN5O5/c1-15(30-25(36)20(28)13-16-6-10-19(33)11-7-16)24(35)31-21(14-17-4-8-18(27)9-5-17)26(37)32-12-2-3-22(32)23(29)34/h4-11,15,20-22,33H,2-3,12-14,28H2,1H3,(H2,29,34)(H,30,36)(H,31,35)
InChIKey
VLYCMDUDHSCSLX-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)CC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1ccc(cc1)Cl)C)N
Isomeric Smiles
CC(C(=O)NC(Cc1ccc(cc1)Cl)C(=O)N1CCCC1C(=O)N)NC(=O)C(Cc1ccc(cc1)O)N
Calculated Properties
JChem
Acid pKa
9.508279
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-1.2816716
LogD (pH = 7.4)
0.38911837
Log P
0.74997085
Molar Refractivity
137.9245
Polarizability
53.871124
Polar Surface Area
167.85
Rotatable Bonds
10
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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