Molecule

ID:130375

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃N₅O₂
Molecular Mass
341.40752
Exact Mass
341.185175
Charge
0
InChI
InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3
InChIKey
NMCHYWGKBADVMK-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C
Isomeric Smiles
O=c1n(c2ncn(c2c(=O)n1C)CCNC(C)Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6605805
LogD (pH = 7.4)
-0.60641444
Log P
1.5196604
Molar Refractivity
96.342
Polarizability
36.16175
Polar Surface Area
70.47
Rotatable Bonds
6
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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