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- ChemComp-EHH: [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]met... -

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Basic information

EntryDatabase: PDB chemical components / ID: EHH
NameName: [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine

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Chemical information

Composition
Formula: C18H20N4 / Number of atoms: 42 / Formula weight: 292.378 / Formal charge: 0
Others

6g2e

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EHH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6G2E
History
Create componentMar 23, 2018
Initial releaseJun 26, 2019
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C
OpenEye OEToolkits 2.0.6Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN

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SMILES CANONICAL

CACTVS 3.385Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C
OpenEye OEToolkits 2.0.6Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN

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InChI

InChI 1.03InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3

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InChIKey

InChI 1.03LYFZPAXTPPYSEC-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6g2e:
X-ray structure of NSD3-PWWP1 in complex with compound 13

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