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LY3104607

CAT: 0013-GTR19199983-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199983-01Size:25 mg
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Description
LY3104607
CAS Number
1795232-22-2
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CC1=C (C (C) =CC=C1) C2=NN3C (=N2) C=CC (COC4=CC=C ([C@H] (CC (O) =O) C#CC) C=C4) =C3
Molecular Formula
C27H25N3O3
Molecular Weight
439.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Unii-2OH4ruc1V4
CAS Number1795232-22-2
PubChem CID91809187
IUPAC Name(3S)-3-[4-[[2-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
Molecular FormulaC27H25N3O3
Molecular Weight439.5
XLogP4.9
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity713
SMILES
CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CN3C(=NC(=N3)C4=C(C=CC=C4C)C)C=C2
InChI
InChI=1S/C27H25N3O3/c1-4-6-22(15-25(31)32)21-10-12-23(13-11-21)33-17-20-9-14-24-28-27(29-30(24)16-20)26-18(2)7-5-8-19(26)3/h5,7-14,16,22H,15,17H2,1-3H3,(H,31,32)/t22-/m0/s1
InChIKey
FDIWCHYTKOPHPS-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Unii-2OH4ruc1V4
CAS: 1795232-22-2
CID: 91809187
Formula: C27H25N3O3
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass439.18959167
Monoisotopic Mass439.18959167
Topological Polar Surface Area76.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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