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- ChemComp-M75: ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: M75
NameName: ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide

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Chemical information

Composition
Formula: C6H9N3O2S / Number of atoms: 21 / Formula weight: 187.22 / Formal charge: 0
Others

6t0z

Type: non-polymer / PDB classification: HETAIN / Three letter code: M75 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6T0Z
History
Create componentOct 3, 2019
Initial releaseMar 4, 2020
External linksUniChem / ChemSpider / PubChem / ZINC / 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 3.385O=[S](=O)(NC1CC1)c2c[nH]cn2
OpenEye OEToolkits 2.0.7c1c(nc[nH]1)S(=O)(=O)NC2CC2

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SMILES CANONICAL

CACTVS 3.385O=[S](=O)(NC1CC1)c2c[nH]cn2
OpenEye OEToolkits 2.0.7c1c(nc[nH]1)S(=O)(=O)NC2CC2

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InChI

InChI 1.03InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)

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InChIKey

InChI 1.03JRINQCODSFQXLT-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6t0z:
Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005)

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