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Fiscalin A

CAT: 0931-TN10981-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10981-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149030-11-5
Target
Others
Related Pathways
Others
Bioactivity
Fiscalin A is a natural product found in Aspergillus fischeri.
Smiles
O=C1C=2C=CC=CC2N=C3N1C(C(=O)NC3C(C)C)CC4(O)C=5C=CC=CC5N6C(=O)C(NC64)C
Molecular Formula
C26H27N5O4
Molecular Weight
473.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fiscalin A

Fiscalin A is a member of quinazolines.

CAS Number149030-11-5
PubChem CID10344787
IUPAC Name(1S,4R)-4-[[(2S,3aR,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Molecular FormulaC26H27N5O4
Molecular Weight473.5
XLogP1.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity967
SMILES
C[C@H]1C(=O)N2[C@@H](N1)[C@@](C3=CC=CC=C32)(C[C@@H]4C(=O)N[C@H](C5=NC6=CC=CC=C6C(=O)N45)C(C)C)O
InChI
InChI=1S/C26H27N5O4/c1-13(2)20-21-28-17-10-6-4-8-15(17)24(34)30(21)19(22(32)29-20)12-26(35)16-9-5-7-11-18(16)31-23(33)14(3)27-25(26)31/h4-11,13-14,19-20,25,27,35H,12H2,1-3H3,(H,29,32)/t14-,19+,20-,25+,26-/m0/s1
InChIKey
KGYYECCJAXZXMH-GNXNSZJDSA-N
Chemical Structure
2D Structure
2D structure of Fiscalin A
CAS: 149030-11-5
CID: 10344787
Formula: C26H27N5O4
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass473.20630436
Monoisotopic Mass473.20630436
Topological Polar Surface Area114 Ų
Heavy Atom Count35
Formal Charge0
Complexity967
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19255371-01Fiscalin A
HY-N14843Fiscalin B
HY-N12901Fiscalin C

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