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CInQ-03

CAT: 0931-T71816-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71816-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
500272-80-0
Target
Others
Related Pathways
Others
Bioactivity
CInQ-03 is a novel and specific MEK inhibitor both in vitro and in vivo.
Smiles
C(#N)C=1C=2C(N3C1C=C(NC(=O)C4=C(Cl)C=CC=C4)C=C3)=NC=5C(N2)=CC=CC5
Molecular Formula
C22H12ClN5O
Molecular Weight
397.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-chloro-N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)benzamide
CAS Number500272-80-0
PubChem CID1965549
IUPAC Name2-chloro-N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)benzamide
Molecular FormulaC22H12ClN5O
Molecular Weight397.8
XLogP4.7
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity679
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C4=NC5=CC=CC=C5N=C4N3C=C2)C#N)Cl
InChI
InChI=1S/C22H12ClN5O/c23-16-6-2-1-5-14(16)22(29)25-13-9-10-28-19(11-13)15(12-24)20-21(28)27-18-8-4-3-7-17(18)26-20/h1-11H,(H,25,29)
InChIKey
HLFGQICCFZTXTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)benzamide
CAS: 500272-80-0
CID: 1965549
Formula: C22H12ClN5O
MW: 397.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.8
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass397.0730377
Monoisotopic Mass397.0730377
Topological Polar Surface Area83.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity679
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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