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- ChemComp-SKQ: 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}... -

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Basic information

EntryDatabase: PDB chemical components / ID: SKQ
NameName: 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one
Synonyms: GFB-9289

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Chemical information

Composition
Formula: C14H19ClN4O2 / Number of atoms: 40 / Formula weight: 310.779 / Formal charge: 0
Others

7b16

Type: non-polymer / PDB classification: HETAIN / Three letter code: SKQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B16
History
Create componentNov 24, 2020
Initial releaseDec 9, 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 3.385ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2
OpenEye OEToolkits 2.0.7C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl

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SMILES CANONICAL

CACTVS 3.385ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2
OpenEye OEToolkits 2.0.7C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl

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InChI

InChI 1.03InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21)

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InChIKey

InChI 1.03XKGWJQQBZFNYMZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7b16:
TRPC4 in complex with inhibitor GFB-9289

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