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848217-00-5 | H4 Receptor antagonist 1
CAS No: 848217-00-5 Catalog No: AG01FHH8 MDL No:
Product Description
Catalog Number:
AG01FHH8
Chemical Name:
H4 Receptor antagonist 1
CAS Number:
848217-00-5
Molecular Formula:
C16H17ClN4O
Molecular Weight:
316.7854
IUPAC Name:
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
InChI:
InChI=1S/C16H17ClN4O/c1-10-18-14-12-9-11(17)3-4-13(12)22-15(14)16(19-10)21-7-5-20(2)6-8-21/h3-4,9H,5-8H2,1-2H3
InChI Key:
GUJLUPNSRRNJKP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc(C)nc2c1oc1c2cc(cc1)Cl
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.789g/mol
Monoisotopic Mass:
316.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Identification and hit-to-lead exploration of a novel series of histamine H4 receptor inverse agonists. | Bioorganic & medicinal chemistry letters 20100415 |
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