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Anticancer agent 74

CAT: 0931-T61230-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T61230-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2242503-82-6
Target
Others
Related Pathways
Others
Bioactivity
Anticancer agent 74 exhibits moderate anticancer activity with lower selectivity and cytotoxicity compared to doxorubicin towards normal cells [1].
Smiles
O(CC1=CC=CC=C1)C2=C3C(=C4C(=NC3=CC=C2)CCC4)C5=CC=CC=C5
Molecular Formula
C25H21NO
Molecular Weight
351.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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