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Nampt-IN-5

CAT: 0607-BA7262-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA7262-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2380013-17-0
Form
A solid
Molecular Formula
C25H25N5O2
Molecular Weight
427.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Nampt-IN-5
CAS Number2380013-17-0
PubChem CID146014464
IUPAC NameN-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
Molecular FormulaC25H25N5O2
Molecular Weight427.5
XLogP3.3
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity619
SMILES
CCOC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(=O)N4CC(C4)C5=CN=CC=C5
InChI
InChI=1S/C25H25N5O2/c1-2-32-25-28-22-7-3-4-8-23(22)30(25)15-18-9-11-21(12-10-18)27-24(31)29-16-20(17-29)19-6-5-13-26-14-19/h3-14,20H,2,15-17H2,1H3,(H,27,31)
InChIKey
JWEBCHOGBDMGBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nampt-IN-5
CAS: 2380013-17-0
CID: 146014464
Formula: C25H25N5O2
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass427.20082506
Monoisotopic Mass427.20082506
Topological Polar Surface Area72.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity619
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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