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1K5 : Summary
Code
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1K5
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One-letter code
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X
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Molecule name
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(9-oxoacridin-10(9H)-yl)acetic acid
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Systematic names
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Formula
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C15 H11 N O3
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Formal charge
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0
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Molecular weight
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253.253 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)CN3c1ccccc1C(=O)c2c3cccc2 |
SMILES
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CACTVS |
3.370 |
OC(=O)CN1c2ccccc2C(=O)c3ccccc13 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
OC(=O)CN1c2ccccc2C(=O)c3ccccc13 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O |
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IUPAC InChI | InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18) |
IUPAC InChI key | UOMKBIIXHQIERR-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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2013-02-27
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Last modified at
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2013-05-03
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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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