Molecule

ID:134388

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₆ClN₅O₄
Molecular Mass
471.93664
Exact Mass
471.16733202
Charge
0
InChI
InChI=1S/C23H25N5O4.ClH/c1-14-12-20(29)32-19-13-16(9-10-17(14)19)27-22(31)18(8-5-11-26-23(24)25)28-21(30)15-6-3-2-4-7-15;/h2-4,6-7,9-10,12-13,18H,5,8,11H2,1H3,(H,27,31)(H,28,30)(H4,24,25,26);1H/t18-;/m0./s1
InChIKey
XKAVYOJOHZLTDF-FERBBOLQSA-N
Canonic Smiles
NC(=N)NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)c1ccccc1.Cl
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
13.04999
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-0.68753684
LogD (pH = 7.4)
-0.68423223
Log P
1.430734
Molar Refractivity
132.0873
Polarizability
45.2372
Polar Surface Area
146.4
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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