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LUM : Summary
Code
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LUM
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One-letter code
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X
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Molecule name
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LUMICHROME
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Synonyms
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7,8-DIMETHYLALLOXAZINE
6,7-DIMETHYLALLOXAZINE
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Systematic names
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Formula
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C12 H10 N4 O2
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Formal charge
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0
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Molecular weight
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242.233 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C |
SMILES
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CACTVS |
3.341 |
Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3 |
Canonical SMILES
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CACTVS |
3.341 |
Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3 |
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IUPAC InChI | InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) |
IUPAC InChI key | ZJTJUVIJVLLGSP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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28 (18 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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2000-11-20
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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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