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462067-00-1

462067-00-1 | 6-Methyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine

CAS No: 462067-00-1 Catalog No: AG01FAHV MDL No:

Product Description

Catalog Number:
AG01FAHV
Chemical Name:
6-Methyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine
CAS Number:
462067-00-1
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
IUPAC Name:
6-methyl-2H-pyrazolo[3,4-b]quinolin-3-amine
InChI:
InChI=1S/C11H10N4/c1-6-2-3-9-7(4-6)5-8-10(12)14-15-11(8)13-9/h2-5H,1H3,(H3,12,13,14,15)
InChI Key:
RKOSJFGLKQAHTK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc1c(n2)[nH]nc1N

Properties

Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.229g/mol
Monoisotopic Mass:
198.091g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis. Journal of medicinal chemistry 20030327

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