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AZ-PFKFB3-67 25mg

CAT: 0628-A17214-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A17214-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1704741-11-6

Chemical Information

AZ-Pfkfb3-67
CAS Number1704741-11-6
PubChem CID91668554
IUPAC Name(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
Molecular FormulaC26H25N5O3
Molecular Weight455.5
XLogP3.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity763
SMILES
CC1=C(C(=NO1)C)CN2C=C(C3=C2C=CC(=C3)OC4=CC=C(C=C4)NC(=O)[C@@H]5CCCN5)C#N
InChI
InChI=1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKey
NDIKFKQBWGMLCA-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of AZ-Pfkfb3-67
CAS: 1704741-11-6
CID: 91668554
Formula: C26H25N5O3
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass455.19573968
Monoisotopic Mass455.19573968
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity763
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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