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Elinafide

CAT: 0127-BUP11617-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11617-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162706-37-8
Purity
=95%
Smiles
O=C1C=2C=3C(C(=O)N1CCNCCCNCCN4C(=O)C=5C=6C(C4=O)=CC=CC6C=CC5)=CC=CC3C=CC2

Chemical Information

Elinafide

Elinafide is a small molecule drug. Elinafide has a monoisotopic molecular weight of 520.21 Da.

CAS Number162706-37-8
PubChem CID444912
IUPAC Name2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC31H28N4O4
Molecular Weight520.6
XLogP3.6
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity821
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCNCCCNCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI
InChI=1S/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13,32-33H,5,14-19H2
InChIKey
QUNOQBDEVTWCTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Elinafide
CAS: 162706-37-8
CID: 444912
Formula: C31H28N4O4
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass520.21105539
Monoisotopic Mass520.21105539
Topological Polar Surface Area98.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19213086-01Elinafide

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