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Lexitropsin

CAT: 0931-T25703-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25703-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110124-49-7
Target
DNA Alkylator/Crosslinker, Others
Related Pathways
Others, DNA Damage/DNA Repair
Bioactivity
Lexitropsin is a novel anticancer drug.
Smiles
C(NCCCN(C)C)(=O)C=1N(CCC)C=C(NC(=O)C=2OC(NC(C)=O)=CC2)C1
Molecular Formula
C20H29N5O4
Molecular Weight
403.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lexitropsin

structure given in first source; information reading oligopeptide

CAS Number110124-49-7
PubChem CID119575
IUPAC Name4-[(5-acetamidofuran-2-carbonyl)amino]-N-[3-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
Molecular FormulaC20H29N5O4
Molecular Weight403.5
XLogP1.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity571
SMILES
CCCN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC=C(O2)NC(=O)C
InChI
InChI=1S/C20H29N5O4/c1-5-10-25-13-15(12-16(25)19(27)21-9-6-11-24(3)4)23-20(28)17-7-8-18(29-17)22-14(2)26/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,21,27)(H,22,26)(H,23,28)
InChIKey
QUHGSDZVAPFNLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lexitropsin
CAS: 110124-49-7
CID: 119575
Formula: C20H29N5O4
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass403.22195442
Monoisotopic Mass403.22195442
Topological Polar Surface Area109 Ų
Heavy Atom Count29
Formal Charge0
Complexity571
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
HY-114582Lexitropsin
MBS5775433Lexitropsin 1

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