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- ChemComp-DZR: ~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-... -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: DZR
NameName: ~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide
CommentZ944*YM

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Chemical information

Composition
Formula: C19H27ClFN3O2 / Number of atoms: 53 / Formula weight: 383.888 / Formal charge: 0
Others

6kzp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DZR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6KZP
History
Create componentSep 26, 2019
Initial releaseDec 18, 2019
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(F)cc(Cl)c2
OpenEye OEToolkits 2.0.7CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F

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SMILES CANONICAL

CACTVS 3.385CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(F)cc(Cl)c2
OpenEye OEToolkits 2.0.7CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F

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InChI

InChI 1.03InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)

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InChIKey

InChI 1.03JOCLITFYIMJMNK-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6kzp:
calcium channel-ligand

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