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78860-53-4 | 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(5,6-DIHYDRO-4,4-DIMETHYL-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1-YL)-5-[2-(1,1-DIMETHYL-2-PROPENYL)-1H-INDOL-3-YL]-3,6-DIHYDROXY-
CAS No: 78860-53-4 Catalog No: AG00553G MDL No:
Product Description
Catalog Number:
AG00553G
Chemical Name:
2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(5,6-DIHYDRO-4,4-DIMETHYL-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1-YL)-5-[2-(1,1-DIMETHYL-2-PROPENYL)-1H-INDOL-3-YL]-3,6-DIHYDROXY-
CAS Number:
78860-53-4
Molecular Formula:
C32H30N2O4
Molecular Weight:
506.5916
IUPAC Name:
2-(11,11-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3,6-dihydroxy-5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C32H30N2O4/c1-6-31(2,3)30-22(19-11-7-8-13-21(19)33-30)24-28(37)26(35)23(27(36)29(24)38)20-16-34-25-17(10-9-12-18(20)25)14-15-32(34,4)5/h6-13,16,33,35,38H,1,14-15H2,2-5H3
InChI Key:
FBIKJOKQNGPVJM-UHFFFAOYSA-N
SMILES:
C=CC(c1[nH]c2c(c1C1=C(O)C(=O)C(=C(C1=O)O)c1cn3c4c1cccc4CCC3(C)C)cccc2)(C)C
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.221g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
506.602g/mol
Monoisotopic Mass:
506.221g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| Inhibition of HIV-reverse transcriptase activity by asterriquinone and its analogues. | Biochemical and biophysical research communications 19910115 |
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