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1388151-90-3 | Phox-I1
CAS No: 1388151-90-3 Catalog No: AG01FONE MDL No:
Product Description
Catalog Number:
AG01FONE
Chemical Name:
Phox-I1
CAS Number:
1388151-90-3
IUPAC Name:
9-methoxy-5-(3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
InChI:
InChI=1S/C23H19N3O4/c1-29-18-10-11-22-19(13-18)21-14-20(15-6-3-2-4-7-15)24-25(21)23(30-22)16-8-5-9-17(12-16)26(27)28/h2-13,21,23H,14H2,1H3
InChI Key:
VTKZDTUTWZFSRQ-UHFFFAOYSA-N
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.422g/mol
Monoisotopic Mass:
401.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Rational design of small molecule inhibitors targeting the Rac GTPase-p67(phox) signaling axis in inflammation. | Chemistry & biology 20120224 |
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