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Anticancer agent 74

CAT: 0804-HY-147968Size: 1 EachDry Ice: NoHazardous: No
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Description
Anticancer agent 74 is a moderate anticancer agent. Anticancer agent 74 has lower selectivity and cytotoxicity than doxorubicin to normal cell[1].
CAS Number
2242503-82-6
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/anticancer-agent-74.html
Solubility
10 mM in DMSO
Smiles
C12=NC3=CC=CC(OCC4=CC=CC=C4)=C3C(C5=CC=CC=C5)=C1CCC2
Molecular Formula
C25H21NO
Molecular Weight
351.44
References & Citations
[1]Bhornrawin Akkachairin, et al. Synthesis of neocryptolepines and carbocycle-fused quinolines and evaluation of their anticancer and antiplasmodial activities, Bioorg Chem. 2020 May;98:103732.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Anticancer agent 74
CAS Number2242503-82-6
PubChem CID164886620
IUPAC Name9-phenyl-8-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
Molecular FormulaC25H21NO
Molecular Weight351.4
XLogP6
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity467
SMILES
C1CC2=C(C3=C(C=CC=C3OCC4=CC=CC=C4)N=C2C1)C5=CC=CC=C5
InChI
InChI=1S/C25H21NO/c1-3-9-18(10-4-1)17-27-23-16-8-15-22-25(23)24(19-11-5-2-6-12-19)20-13-7-14-21(20)26-22/h1-6,8-12,15-16H,7,13-14,17H2
InChIKey
KQAQESVCPHPKQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 74
CAS: 2242503-82-6
CID: 164886620
Formula: C25H21NO
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass351.162314293
Monoisotopic Mass351.162314293
Topological Polar Surface Area22.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity467
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