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Anticancer agent 75

CAT: 0931-T60998-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T60998-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2414491-13-5
Target
Topoisomerase, Others, Parasite
Related Pathways
Microbiology/Virology, Others, DNA Damage/DNA Repair
Bioactivity
Anticancer agent 75 has good antiplasmodial activity. Anticancer agent 75 is a potent anticancer agent with cytotoxicity and selectivity in cancer cell lines. The cytotoxicity of Anticancer agent 75 to normal human kidney cell lines is at least 35 times lower than that of the Doxorubicin standard [1].
Smiles
C(CC(C)C)C1=C2C(N(C)C=3C1=CC=C(OC)C3)=NC=4C2=CC=CC4
Molecular Formula
C22H24N2O
Molecular Weight
332.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 75
CAS Number2414491-13-5
PubChem CID164517177
IUPAC Name3-methoxy-5-methyl-11-(3-methylbutyl)indolo[2,3-b]quinoline
Molecular FormulaC22H24N2O
Molecular Weight332.4
XLogP5.8
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity453
SMILES
CC(C)CCC1=C2C3=CC=CC=C3N=C2N(C4=C1C=CC(=C4)OC)C
InChI
InChI=1S/C22H24N2O/c1-14(2)9-11-17-16-12-10-15(25-4)13-20(16)24(3)22-21(17)18-7-5-6-8-19(18)23-22/h5-8,10,12-14H,9,11H2,1-4H3
InChIKey
WLYMPCQGWLNTIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 75
CAS: 2414491-13-5
CID: 164517177
Formula: C22H24N2O
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass332.188863393
Monoisotopic Mass332.188863393
Topological Polar Surface Area27.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity453
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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