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Yorodumi- ChemComp-1I2: N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-c... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1I2 |
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Name | Name: |
-Chemical information
Composition | Formula: C29H31ClF2N4O / Number of atoms: 68 / Formula weight: 525.032 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 1I2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7WNX | ||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7wnx:
Cryo-EM structure of Mycobacterium smegmatis MmpL3 complexed with ST004 in lipid nanodiscs