Molecule

ID:61033

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁N₅O₂
Molecular Mass
351.40234
Exact Mass
351.16952494
Charge
0
InChI
InChI=1S/C19H21N5O2/c1-5-14-16(13-9-7-6-8-10-13)18-21-20-17(19(25)26-4)15(24(18)22-14)11-12-23(2)3/h6-12H,5H2,1-4H3/b12-11+
InChIKey
ARXWCVBLYPHVTR-VAWYXSNFSA-N
Canonic Smiles
COC(=O)c1nnc2n(c1/C=C/N(C)C)nc(c2c1ccccc1)CC
Isomeric Smiles
c12n(c(c(nn2)C(=O)OC)/C=C/N(C)C)nc(c1c1ccccc1)CC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.4737352
LogD (pH = 7.4)
2.5252686
Log P
2.5863996
Molar Refractivity
112.9131
Polarizability
38.83599
Polar Surface Area
72.62
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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