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PIM1-IN-1

CAT: 0607-BA6399-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6399-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1417630-95-5
Form
A solid
Molecular Formula
C25H30N8O2
Molecular Weight
474.56
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pim1-IN-1
CAS Number1417630-95-5
PubChem CID123561371
IUPAC Name2-[10-(2-methoxyethyl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]-N-(piperidin-4-ylmethyl)quinolin-8-amine
Molecular FormulaC25H30N8O2
Molecular Weight474.6
XLogP1.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity682
SMILES
COCCN1CCOC2=C1C=NN3C2=NN=C3C4=NC5=C(C=CC=C5NCC6CCNCC6)C=C4
InChI
InChI=1S/C25H30N8O2/c1-34-13-11-32-12-14-35-23-21(32)16-28-33-24(30-31-25(23)33)20-6-5-18-3-2-4-19(22(18)29-20)27-15-17-7-9-26-10-8-17/h2-6,16-17,26-27H,7-15H2,1H3
InChIKey
BKDLGAKRAHVMNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pim1-IN-1
CAS: 1417630-95-5
CID: 123561371
Formula: C25H30N8O2
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass474.24917223
Monoisotopic Mass474.24917223
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity682
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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