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- ChemComp-RKK: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: RKK
NameName: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
Synonyms: 4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine

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Chemical information

Composition
Formula: C19H26N6 / Number of atoms: 51 / Formula weight: 338.45 / Formal charge: 0
Others

7ajv

Type: non-polymer / PDB classification: HETAIN / Three letter code: RKK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AJV
History
Create componentOct 1, 2020
Modify synonymsMar 13, 2021
Initial releaseMay 26, 2021
External linksUniChem / ChemSpider / PubChem / 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 3.385CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3
OpenEye OEToolkits 2.0.7CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N

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SMILES CANONICAL

CACTVS 3.385CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3
OpenEye OEToolkits 2.0.7CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N

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InChI

InChI 1.03InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24)

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InChIKey

InChI 1.03IQINXSAAPBBCLN-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7ajv:
Structure of DYRK1A in complex with compound 38

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