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7JL : Summary
Code
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7JL
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One-letter code
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X
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Molecule name
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6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one
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Synonyms
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6-bromo-8-hydroxy-3H-quinazolin-4-one
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Systematic names
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Formula
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C8 H5 Br N2 O2
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Formal charge
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0
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Molecular weight
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241.041 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Oc1cc(Br)cc2C(=O)NC=Nc12 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1c(cc(c2c1C(=O)NC=N2)O)Br |
Canonical SMILES
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CACTVS |
3.385 |
Oc1cc(Br)cc2C(=O)NC=Nc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1c(cc(c2c1C(=O)NC=N2)O)Br |
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IUPAC InChI | InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)10-3-11-8(5)13/h1-3,12H,(H,10,11,13) |
IUPAC InChI key | AUPAGWVOMYPVRN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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18 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2016-11-02
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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