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- ChemComp-F9C: 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-o... -

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Basic information

EntryDatabase: PDB chemical components / ID: F9C
NameName: 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one

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Chemical information

Composition
Formula: C15H19BrN4O2 / Number of atoms: 41 / Formula weight: 367.241 / Formal charge: 0
Others

7bx4
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: F9C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BX4
History
Create componentApr 20, 2020
Initial releaseJul 5, 2023
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 3.385Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12
OpenEye OEToolkits 2.0.7Cc1c(cnc2c1ncn2CC(=O)CC3C(CCCN3)O)Br

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SMILES CANONICAL

CACTVS 3.385Cc1c(Br)cnc2n(CC(=O)C[C@H]3NCCC[C@@H]3O)cnc12
OpenEye OEToolkits 2.0.7Cc1c(cnc2c1ncn2CC(=O)C[C@@H]3[C@H](CCCN3)O)Br

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InChI

InChI 1.03InChI=1S/C15H19BrN4O2/c1-9-11(16)6-18-15-14(9)19-8-20(15)7-10(21)5-12-13(22)3-2-4-17-12/h6,8,12-13,17,22H,2-5,7H2,1H3/t12-,13+/m1/s1

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InChIKey

InChI 1.03HASBACODFIEZPY-OLZOCXBDSA-N

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PDB entries

Showing all 1 items

PDB-7y3s:
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1

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