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- ChemComp-06N: 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: 06N
NameName: 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol

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Chemical information

Composition
Formula: C13H14N4OS / Number of atoms: 33 / Formula weight: 274.341 / Formal charge: 0
Others

7opg

Type: non-polymer / PDB classification: HETAIN / Three letter code: 06N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OPG
History
Create componentMay 31, 2021
Initial releaseJul 21, 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 3.385CCCNc1sc2ncc(n2n1)c3ccc(O)cc3
OpenEye OEToolkits 2.0.7CCCNc1nn2c(cnc2s1)c3ccc(cc3)O

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SMILES CANONICAL

CACTVS 3.385CCCNc1sc2ncc(n2n1)c3ccc(O)cc3
OpenEye OEToolkits 2.0.7CCCNc1nn2c(cnc2s1)c3ccc(cc3)O

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InChI

InChI 1.03InChI=1S/C13H14N4OS/c1-2-7-14-12-16-17-11(8-15-13(17)19-12)9-3-5-10(18)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,14,16)

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InChIKey

InChI 1.03CEHVGUOOKBVMCH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7opg:
Crystal structure of CLK1 in complex with compound 2 (CC513)

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