ZP2
(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone
| Created: | 2023-06-29 |
| Last modified: | 2024-05-08 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 32 |
| Chiral Atom Count | 0 |
| Bond Count | 33 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
| Synonyms | Pharmacokinetically Improved TTR Binder (PITB) |
| Systematic Name (OpenEye OEToolkits) | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
| Formula | C14 H10 F N O6 |
| Molecular Weight | 307.231 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O |
| Canonical SMILES | CACTVS | 3.385 | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O |
| InChI | InChI | 1.06 | InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3 |
| InChIKey | InChI | 1.06 | LHCGDAFIWWCKGM-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 169450070 |














