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- ChemComp-N07: [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidi... -

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Basic information

EntryDatabase: PDB chemical components / ID: N07
NameName: [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone

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Chemical information

Composition
Formula: C21H21N3O2 / Number of atoms: 47 / Formula weight: 347.41 / Formal charge: 0
Others

6opn

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: N07 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6OPN
History
Create componentApr 26, 2019
Initial releaseOct 21, 2020
External linksUniChem / ChemSpider / PubChem / 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

ACDLabs 12.01Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
CACTVS 3.385Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
OpenEye OEToolkits 2.0.7Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4

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SMILES CANONICAL

CACTVS 3.385Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
OpenEye OEToolkits 2.0.7Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4

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InChI

InChI 1.03InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3

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InChIKey

InChI 1.03IKHAJTCUSZHKAO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
OpenEye OEToolkits 2.0.7[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-yl-methanone

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PDB entries

Showing all 1 items

PDB-6opn:
CD4- and 17-bound HIV-1 Env B41 SOSIP in complex with small molecule GO35

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