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AG-024322

CAT: 0926-MIB36457-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-MIB36457-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
837364-57-5
Smiles
CCNCC1=CN=CC (=C1C) C2=CC3=C (C=C2) NN=C3C4=NC5=C (N4) C=C (C=C5F) F
Molecular Formula
C23H20F2N6
Molecular Weight
418.4 g/mol
Controlled
No

Chemical Information

Ag-24322

AG-024322 has been used in trials studying the treatment of Neoplasms and Lymphoma, Non-Hodgkin.

CAS Number837364-57-5
PubChem CID135413565
IUPAC NameN-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
Molecular FormulaC23H20F2N6
Molecular Weight418.4
XLogP3.7
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity611
SMILES
CCNCC1=CN=CC(=C1C)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=C(C=C5F)F
InChI
InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)
InChIKey
MEKASOQEXYKAKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ag-24322
CAS: 837364-57-5
CID: 135413565
Formula: C23H20F2N6
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass418.17175099
Monoisotopic Mass418.17175099
Topological Polar Surface Area82.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity611
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

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