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AXL-IN-13

CAT: 0607-BA8966-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8966-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2376928-82-2
Form
A solid
Molecular Formula
C34H41FN6O5
Molecular Weight
632.72
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Axl-IN-13
CAS Number2376928-82-2
PubChem CID139533572
IUPAC NameN-cyclohexyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyanilino]-1-methylpyrazole-4-carboxamide
Molecular FormulaC34H41FN6O5
Molecular Weight632.7
XLogP5.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity942
SMILES
CN1C=C(C(=N1)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OCCCN5CCOCC5)OC)F)C(=O)NC6CCCCC6
InChI
InChI=1S/C34H41FN6O5/c1-40-22-26(34(42)38-23-7-4-3-5-8-23)33(39-40)37-24-9-10-30(27(35)19-24)46-29-11-12-36-28-21-32(31(43-2)20-25(28)29)45-16-6-13-41-14-17-44-18-15-41/h9-12,19-23H,3-8,13-18H2,1-2H3,(H,37,39)(H,38,42)
InChIKey
QBRQTJMZEYORSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Axl-IN-13
CAS: 2376928-82-2
CID: 139533572
Formula: C34H41FN6O5
MW: 632.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.7
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass632.31224659
Monoisotopic Mass632.31224659
Topological Polar Surface Area112 Ų
Heavy Atom Count46
Formal Charge0
Complexity942
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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