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(E)-3-(3-fluorophenyl)-1-(indolin-1-yl)prop-2-en-1-one , CAS No.1164524-18-8
Basic Description
| Synonyms | (E)-3-(3-fluorophenyl)-1-(indolin-1-yl)prop-2-en-1-one | (2E)-1-(2,3-dihydro-1H-indol-1-yl)-3-(3-fluorophenyl)prop-2-en-1-one | MLS000375324 | (E)-1-(2,3-dihydroindol-1-yl)-3-(3-fluorophenyl)prop-2-en-1-one | SMR000254577 | cid_713703 | BDBM43716 | HMS257 |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (E)-1-(2,3-dihydroindol-1-yl)-3-(3-fluorophenyl)prop-2-en-1-one |
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| INCHI | InChI=1S/C17H14FNO/c18-15-6-3-4-13(12-15)8-9-17(20)19-11-10-14-5-1-2-7-16(14)19/h1-9,12H,10-11H2/b9-8+ |
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| InChi Key | JPEUGQIVTFFHNF-CMDGGOBGSA-N |
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| Canonical SMILES | C1CN(C2=CC=CC=C21)C(=O)C=CC3=CC(=CC=C3)F |
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| Isomeric SMILES | C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC(=CC=C3)F |
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| PubChem CID | 713703 |
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| Molecular Weight | 267.3 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 267.300 g/mol |
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| XLogP3 | 3.500 |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 2 |
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| Rotatable Bond Count | 2 |
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| Exact Mass | 267.106 Da |
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| Monoisotopic Mass | 267.106 Da |
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| Topological Polar Surface Area | 20.300 Ų |
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| Heavy Atom Count | 20 |
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| Formal Charge | 0 |
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| Complexity | 381.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 1 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 1 |
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| Covalently-Bonded Unit Count | 1 |
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