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Yorodumi- ChemComp-7CF: [3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7CF |
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Name | Name: [3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17- ...Name: [ |
-Chemical information
Composition | Formula: C36H52Cl2N2O5 / Number of atoms: 97 / Formula weight: 663.714 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7CF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5M0M | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | [ |
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-PDB entries
Showing all 1 items
PDB-5m0m:
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors