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- ChemComp-SYV: 6-azanyl-3-methyl-1,3-benzoxazol-2-one -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: SYV
NameName: 6-azanyl-3-methyl-1,3-benzoxazol-2-one

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Chemical information

Composition
Formula: C8H8N2O2 / Number of atoms: 20 / Formula weight: 164.161 / Formal charge: 0
Others

5r0i

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SYV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R0I
History
Create componentMar 13, 2020
Initial releaseJun 3, 2020
External linksUniChem / ChemSpider / CompTox / PubChem / SureChEMBL / 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 3.385CN1C(=O)Oc2cc(N)ccc12
OpenEye OEToolkits 2.0.6CN1c2ccc(cc2OC1=O)N

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)Oc2cc(N)ccc12
OpenEye OEToolkits 2.0.6CN1c2ccc(cc2OC1=O)N

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InChI

InChI 1.03InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3

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InChIKey

InChI 1.03FPNLXQSOWBNXCN-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-5r0i:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E12, DMSO-free

PDB-8ohc:
PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E12

PDB-9g1f:
Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry E12

PDB-9g1o:
Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E07

PDB-9g1p:
Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E12

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