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919363-76-1 | 2-Propynamide, N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-
CAS No: 919363-76-1 Catalog No: AG006JFE MDL No:
Product Description
Catalog Number:
AG006JFE
Chemical Name:
2-Propynamide, N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-
CAS Number:
919363-76-1
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]prop-2-ynamide
InChI:
InChI=1S/C14H14N2O2/c1-2-14(18)16-11(9-17)7-10-8-15-13-6-4-3-5-12(10)13/h1,3-6,8,11,15,17H,7,9H2,(H,16,18)/t11-/m0/s1
InChI Key:
CZLUDENIFVVMDG-NSHDSACASA-N
SMILES:
OC[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C#C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| A two stage click-based library of protein tyrosine phosphatase inhibitors. | Bioorganic & medicinal chemistry 20070101 |
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