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409351-28-6 | VU0152100
CAS No: 409351-28-6 Catalog No: AG003VBV MDL No:MFCD02742972
Product Description
Catalog Number:
AG003VBV
Chemical Name:
VU0152100
CAS Number:
409351-28-6
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
MDL Number:
MFCD02742972
IUPAC Name:
3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
InChI:
InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
InChI Key:
MDNWGCQSCGNTKH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.429g/mol
Monoisotopic Mass:
341.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| An allosteric enhancer of M₄ muscarinic acetylcholine receptor function inhibits behavioral and neurochemical effects of cocaine. | Psychopharmacology 20121101 |
| Centrally active allosteric potentiators of the M4 muscarinic acetylcholine receptor reverse amphetamine-induced hyperlocomotor activity in rats. | The Journal of pharmacology and experimental therapeutics 20081201 |
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