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Structure
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| Relationships |
Total Number of functionally related protein(s) :
332
Total Number of Articles : 502
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| PubChem |
3542
|
| Molecular Formula |
C14H17N3O2S |
| SMILES |
CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3 |
| InChI |
InChI=1S/C14H17N3O2S/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 |
| synonyms |
- 84477-87-2
- 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE
- 1-(5-Isoquinolinylsulfonyl)-2-methylpiperazine
- H-7
- Protein kinase inhibitor H-7
- 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline
- 5-(2-methylpiperazine-1-sulfonyl)isoquinoline
- Piperazine, 1-(5-isoquinolinylsulfonyl)-2-methyl-
- Isoquinoline,5-[(2-methyl-1-piperazinyl)sulfonyl]-,hydrochloride (1:2)
- H 7
- 5-((2-Methylpiperazin-1-yl)sulfonyl)isoquinoline
- 1-(5-ISOQUINOLINYLSULFONYL)-2-METHYL-PIPERAZINE
- MLS000069615
- CHEMBL323556
- CHEBI:43385
- Isoquinoline-5-sulfonic 2-methyl-1-piperazide
- 487H9Q0F9N
- 5-[(2-methylpiperazin-1-yl)sulfonyl]isoquinoline
- SMR000058749
- Piperazine, 1-(5-isoquinolinylsulfonyl)-2-methyl-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-
- BRN 5482740
- UNII-487H9Q0F9N
- H-7 inhibitor
- H-7 inhibitor?
- BiomolKI_000004
- Opera_ID_1708
- BiomolKI2_000014
- cid_3542
- Protein kinase inhibitor H7
- Lopac0_000598
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| Properties |
| Property |
Value |
| MW |
291.37 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
2 |
| Exact Mass |
291.10414797 g/mol |
| Monoisotopic Mass |
291.10414797 g/mol |
| Heavy Atom Count |
20 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
434 |
| xlogp |
1 |
| Topological Polar Surface Area |
70.7 |
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