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VEGFR-2-IN-65

CAT: 0931-T205402-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205402-01Size:10 mg
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CAS Number
371213-22-8
Target
VEGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Bioactivity
VEGFR-2-IN-65 (Compound 07) functions as a VEGFR-2 inhibitor. It forms hydrogen bonds with Cys180 and can inhibit tube formation in HUVECs.
Smiles
OC1=C(C=CC=2C=CC=CC21)C3=NNC(=C3)C=4C=CC(OC)=C(OC)C4
Molecular Formula
C21H18N2O3
Molecular Weight
346.379
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]naphthalen-1-ol
CAS Number371213-22-8
PubChem CID845151
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]naphthalen-1-ol
Molecular FormulaC21H18N2O3
Molecular Weight346.4
XLogP4.4
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity463
SMILES
COC1=C(C=C(C=C1)C2=NNC(=C2)C3=C(C4=CC=CC=C4C=C3)O)OC
InChI
InChI=1S/C21H18N2O3/c1-25-19-10-8-14(11-20(19)26-2)17-12-18(23-22-17)16-9-7-13-5-3-4-6-15(13)21(16)24/h3-12,24H,1-2H3,(H,22,23)
InChIKey
ICXLGEZBHYTHDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]naphthalen-1-ol
CAS: 371213-22-8
CID: 845151
Formula: C21H18N2O3
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass346.13174244
Monoisotopic Mass346.13174244
Topological Polar Surface Area67.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity463
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