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108930-17-2 | Isoquinoline,5-[(2-methyl-1-piperazinyl)sulfonyl]-,hydrochloride (1:2)
CAS No: 108930-17-2 Catalog No: AG007TT5 MDL No:
Product Description
Catalog Number:
AG007TT5
Chemical Name:
Isoquinoline,5-[(2-methyl-1-piperazinyl)sulfonyl]-,hydrochloride (1:2)
CAS Number:
108930-17-2
Molecular Formula:
C14H17N3O2S
Molecular Weight:
291.3687
IUPAC Name:
5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride
InChI:
InChI=1S/C14H17N3O2S.2ClH/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14;;/h2-6,10-11,16H,7-9H2,1H3;2*1H
InChI Key:
OARGPFMFRLLKPF-UHFFFAOYSA-N
SMILES:
CC1CNCCN1S(=O)(=O)c1cccc2c1ccnc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.285g/mol
Monoisotopic Mass:
363.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
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