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Structure
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| Relationships |
Total Number of functionally related protein(s) :
206
Total Number of Articles : 423
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| PubChem |
4817
|
| Molecular Formula |
C16H18N2OS |
| SMILES |
CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N |
| InChI |
InChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17/h6-9,17H,2-5,10H2,1H3 |
| synonyms |
- pifithrin
- 206983-57-5
- 2-(2-Imino-4,5,6,7-tetrahydrobenzo[d]thiazol-3(2H)-yl)-1-(p-tolyl)ethanone
- CHEMBL198759
- 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone
- Pifithrin-.alpha.
- 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)- benzothiazolyl)ethanone hydrobromide
- Tocris-1267
- BSPBio_001026
- CBDivE_001116
- KBioGR_000366
- KBioSS_000366
- SCHEMBL158627
- BCBcMAP01_000143
- CHEBI:93168
- KBio2_000366
- KBio2_002934
- KBio2_005502
- KBio3_000711
- KBio3_000712
- OLTZHXYLLRJLST-UHFFFAOYSA-N
- Bio1_000477
- Bio1_000966
- Bio1_001455
- Bio2_000353
- Bio2_000833
- HMS1362D07
- HMS1792D07
- HMS1990D07
- HMS3403D07
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| Properties |
| Property |
Value |
| MW |
286.4 g/mol |
| HBD |
1 |
| HBA |
3 |
| Rotatable Bond Count |
3 |
| Exact Mass |
286.11398438 g/mol |
| Monoisotopic Mass |
286.11398438 g/mol |
| Heavy Atom Count |
20 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
449 |
| xlogp |
3.3 |
| Topological Polar Surface Area |
69.5 |
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