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890 : Summary
Code ![](/pdbe/static/images/help.png)
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890
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C17 H16 N2 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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296.321 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1ccc(cc1N)N(C)C2=CC(=O)Oc3ccccc23 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3 |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc(cc1N)N(C)C2=CC(=O)Oc3ccccc23 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H16N2O3/c1-19(11-7-8-16(21-2)13(18)9-11)14-10-17(20)22-15-6-4-3-5-12(14)15/h3-10H,18H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BSBGOXRTSLNAPO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (22 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2017-05-18
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Last modified at ![](/pdbe/static/images/help.png)
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2018-04-13
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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