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532-05-8 | 1,3-di-6-quinolylurea
CAS No: 532-05-8 Catalog No: AG00DVNR MDL No:
Product Description
Catalog Number:
AG00DVNR
Chemical Name:
1,3-di-6-quinolylurea
CAS Number:
532-05-8
IUPAC Name:
1,3-di(quinolin-6-yl)urea
InChI:
InChI=1S/C19H14N4O/c24-19(22-15-5-7-17-13(11-15)3-1-9-20-17)23-16-6-8-18-14(12-16)4-2-10-21-18/h1-12H,(H2,22,23,24)
InChI Key:
MJNIRKGFUIUCQO-UHFFFAOYSA-N
EC Number:
208-525-9
UNII:
OS8SLN7588
NSC Number:
71881
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.348g/mol
Monoisotopic Mass:
314.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Structure-based generation of a new class of potent Cdk4 inhibitors: new de novo design strategy and library design. | Journal of medicinal chemistry 20011220 |
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