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HR22C16

CAT: 0931-T24150-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24150-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
462630-41-7
Target
Kinesin, Others
Related Pathways
Others, Cytoskeletal Signaling
Bioactivity
HR22C16 is an effective, selective, and cell-permeable mitotic kinesin Eg5 inhibitor.
Smiles
O=C1N2C(C3=C(C=4C(N3)=CC=CC4)CC2C(=O)N1CCCC)C5=CC(O)=CC=C5
Molecular Formula
C23H23N3O3
Molecular Weight
389.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Justine
CAS Number462630-41-7
PubChem CID402923
IUPAC Name13-butyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
Molecular FormulaC23H23N3O3
Molecular Weight389.4
XLogP3.6
Topological Polar Surface Area76.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity655
SMILES
CCCCN1C(=O)C2CC3=C(C(N2C1=O)C4=CC(=CC=C4)O)NC5=CC=CC=C35
InChI
InChI=1S/C23H23N3O3/c1-2-3-11-25-22(28)19-13-17-16-9-4-5-10-18(16)24-20(17)21(26(19)23(25)29)14-7-6-8-15(27)12-14/h4-10,12,19,21,24,27H,2-3,11,13H2,1H3
InChIKey
IDGCPAFIELNTPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Justine
CAS: 462630-41-7
CID: 402923
Formula: C23H23N3O3
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass389.17394160
Monoisotopic Mass389.17394160
Topological Polar Surface Area76.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19200229-01HR22C16
sc-202842Trans-HR22C16

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