Molecule

ID:115609

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃N₅O₂
Molecular Mass
365.42892
Exact Mass
365.185175
Charge
0
InChI
InChI=1S/C20H23N5O2/c1-14(2)24-12-16(19(26)23-10-8-21-9-11-23)18-17(13-24)20(27)25(22-18)15-6-4-3-5-7-15/h3-7,12-14,21H,8-11H2,1-2H3
InChIKey
CLEANVSDLCHDOX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cn(cc2c1nn(c2=O)c1ccccc1)C(C)C)N1CCNCC1
Isomeric Smiles
c12c(c(cn(c2)C(C)C)C(=O)N2CCNCC2)nn(c1=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.0367348
LogD (pH = 7.4)
0.6772212
Log P
1.2373422
Molar Refractivity
103.5517
Polarizability
39.231407
Polar Surface Area
68.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation