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- ChemComp-OFZ: 1-(2-adamantylmethyl)-3-ethyl-guanidine -

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Basic information

EntryDatabase: PDB chemical components / ID: OFZ
NameName: 1-(2-adamantylmethyl)-3-ethyl-guanidine

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Chemical information

Composition
Formula: C14H25N3 / Number of atoms: 42 / Formula weight: 235.368 / Formal charge: 0
Others

6y80

Type: non-polymer / PDB classification: HETAIN / Three letter code: OFZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Y80
History
Create componentMar 3, 2020
Initial releaseMar 11, 2020
External linksUniChem / ChemSpider / 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 3.385CCNC(=N)NCC1C2CC3CC(C2)CC1C3
OpenEye OEToolkits 2.0.7CCNC(=N)NCC1C2CC3CC(C2)CC1C3

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SMILES CANONICAL

CACTVS 3.385CCNC(=N)NCC1C2CC3CC(C2)CC1C3
OpenEye OEToolkits 2.0.7[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3

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InChI

InChI 1.03InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)/t9-,10+,11-,12+,13-

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InChIKey

InChI 1.03GKPMCHKJTWWYLH-FOPUMGAHSA-N

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PDB entries

Showing all 1 items

PDB-6y80:
Fragment KCL_916 in complex with MAP kinase p38-alpha

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