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7JM : Summary
Code
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7JM
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One-letter code
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X
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Molecule name
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6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one
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Systematic names
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Formula
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C14 H11 N3 O2
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Formal charge
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0
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Molecular weight
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253.256 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O |
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IUPAC InChI | InChI=1S/C14H11N3O2/c1-8-10(3-2-4-15-8)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h2-7,18H,1H3,(H,16,17,19) |
IUPAC InChI key | VPSVVKQCDRXIFW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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30 (19 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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2021-03-01
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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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