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Anticancer agent 223

CAT: 0931-T88186-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88186-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1328150-75-9
Target
Others
Related Pathways
Others
Bioactivity
Anticanceragent 223 (Compound V-d) is an anticancer agent that induces cell death through both caspase-dependent and caspase-independent pathways. It inhibits tumor spheroid formation and resensitizes cisplatin-resistant A2780 cells to cisplatin.
Smiles
O=C(NC1=CC=C(Cl)C=C1)C2CCN(C=3N=CN=C4C=CC=CC43)CC2
Molecular Formula
C20H19ClN4O
Molecular Weight
366.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 223
CAS Number1328150-75-9
PubChem CID171714370
IUPAC NameN-(4-chlorophenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
Molecular FormulaC20H19ClN4O
Molecular Weight366.8
XLogP4
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity474
SMILES
C1CN(CCC1C(=O)NC2=CC=C(C=C2)Cl)C3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C20H19ClN4O/c21-15-5-7-16(8-6-15)24-20(26)14-9-11-25(12-10-14)19-17-3-1-2-4-18(17)22-13-23-19/h1-8,13-14H,9-12H2,(H,24,26)
InChIKey
KEPUHKQVRHINKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 223
CAS: 1328150-75-9
CID: 171714370
Formula: C20H19ClN4O
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass366.1247389
Monoisotopic Mass366.1247389
Topological Polar Surface Area58.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity474
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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