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TRPC5-IN-3

CAT: 0013-GTR19187101-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187101-02Size:50 mg
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Description
TRPC5-IN-3
CAS Number
2758126-11-1
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
C (C=1N2C (CN (CC2) C3=C (Cl) C (=O) NN=C3) =NC1) C4=C (C (F) (F) F) C=CC=C4
Molecular Formula
C18H15ClF3N5O
Molecular Weight
409.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trpc5-IN-3
CAS Number2758126-11-1
PubChem CID163196355
IUPAC Name5-chloro-4-[3-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
Molecular FormulaC18H15ClF3N5O
Molecular Weight409.8
XLogP2.6
Topological Polar Surface Area62.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity683
SMILES
C1CN2C(=NC=C2CC3=CC=CC=C3C(F)(F)F)CN1C4=C(C(=O)NN=C4)Cl
InChI
InChI=1S/C18H15ClF3N5O/c19-16-14(9-24-25-17(16)28)26-5-6-27-12(8-23-15(27)10-26)7-11-3-1-2-4-13(11)18(20,21)22/h1-4,8-9H,5-7,10H2,(H,25,28)
InChIKey
YCFHBAWLBRKMTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trpc5-IN-3
CAS: 2758126-11-1
CID: 163196355
Formula: C18H15ClF3N5O
MW: 409.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.8
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass409.0917223
Monoisotopic Mass409.0917223
Topological Polar Surface Area62.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity683
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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