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892242-64-7 | 4-((3-(4-Cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid
CAS No: 892242-64-7 Catalog No: AG01FOX4 MDL No:
Product Description
Catalog Number:
AG01FOX4
Chemical Name:
4-((3-(4-Cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid
CAS Number:
892242-64-7
IUPAC Name:
4-[[12-(4-cyclohexylpiperazin-1-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoic acid
InChI:
InChI=1S/C31H30N4O4/c36-29-22-8-4-5-9-23(22)30-27-26(29)24(32-20-12-10-19(11-13-20)31(37)38)18-25(28(27)33-39-30)35-16-14-34(15-17-35)21-6-2-1-3-7-21/h4-5,8-13,18,21,32H,1-3,6-7,14-17H2,(H,37,38)
InChI Key:
MMUWXZUTOXDAGI-UHFFFAOYSA-N
Properties
Complexity:
895
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.227g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
522.605g/mol
Monoisotopic Mass:
522.227g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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