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AMPD2 inhibitor 1 5mg

CAT: 0628-A19839-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19839-5Size:5 mg
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CAS Number
2139356-35-5

Chemical Information

AMPD2 inhibitor 1
CAS Number2139356-35-5
PubChem CID91970654
IUPAC Name6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
Molecular FormulaC25H22N2O2
Molecular Weight382.5
XLogP2.3
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity531
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC=C(C=C3)C4=NC=C(C=C4)C(=O)O
InChI
InChI=1S/C25H22N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-15-18-9-11-20(12-10-18)24-14-13-21(16-27-24)25(28)29/h2-14,16-17,26H,15H2,1H3,(H,28,29)/t17-/m1/s1
InChIKey
YZNXMOIDDMETFM-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of AMPD2 inhibitor 1
CAS: 2139356-35-5
CID: 91970654
Formula: C25H22N2O2
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass382.168127949
Monoisotopic Mass382.168127949
Topological Polar Surface Area62.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity531
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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