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- ChemComp-V7Q: 2,1,3-benzothiadiazol-4-ylmethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: V7Q
NameName: 2,1,3-benzothiadiazol-4-ylmethanamine
Synonyms: Benzo[c][1,2,5]thiadiazol-4-ylmethanamine; 2795209

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Chemical information

Composition
Formula: C7H7N3S / Number of atoms: 18 / Formula weight: 165.216 / Formal charge: 0
Others

7od0

Type: non-polymer / PDB classification: HETAIN / Three letter code: V7Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OD0
History
Create componentApr 23, 2021
Initial releaseAug 4, 2021
External linksUniChem / ChemSpider / CompTox / 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 3.385NCc1cccc2nsnc12
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)nsn2)CN

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SMILES CANONICAL

CACTVS 3.385NCc1cccc2nsnc12
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)nsn2)CN

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InChI

InChI 1.03InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2

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InChIKey

InChI 1.03HMEXAOROCQLCJX-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7od0:
Mirolysin in complex with compound 9

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