Molecule

ID:127419

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆ClN₅O₂
Molecular Mass
357.79424
Exact Mass
357.09925246
Charge
0
InChI
InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3
InChIKey
SEWXZWMBVGJJPG-UHFFFAOYSA-N
Canonic Smiles
CN1Cc2c(ncn2c2c(C1=O)c(Cl)ccc2)c1noc(n1)C(C)C
Isomeric Smiles
Clc1cccc2n3cnc(c4nc(on4)C(C)C)c3CN(C(=O)c12)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8093424
LogD (pH = 7.4)
2.8201602
Log P
2.8203
Molar Refractivity
115.4124
Polarizability
35.973682
Polar Surface Area
77.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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