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FAK-IN-19

CAT: 0931-T86401-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T86401-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
863599-15-9
Target
FAK
Related Pathways
Angiogenesis, Cytoskeletal Signaling, Tyrosine Kinase/Adaptors
Bioactivity
FAK-IN-19 (ligand3), an inhibitor co-crystallized with FAK, exhibits anticancer effects [1].
Smiles
N(C=1N=C2N(C=CC2=CN1)C3=CC=CC=N3)C4=CC(OC)=C(OC)C(OC)=C4
Molecular Formula
C20H19N5O3
Molecular Weight
377.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CAS Number863599-15-9
PubChem CID11957393
IUPAC Name7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
Molecular FormulaC20H19N5O3
Molecular Weight377.4
XLogP3.3
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity484
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=CC=N4
InChI
InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
InChIKey
YENZSPIOXMNEFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CAS: 863599-15-9
CID: 11957393
Formula: C20H19N5O3
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass377.14878949
Monoisotopic Mass377.14878949
Topological Polar Surface Area83.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity484
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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