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8JF : Summary
Code ![](/pdbe/static/images/help.png)
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8JF
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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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N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
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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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C18 H17 N3 O
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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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291.347 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3 |
SMILES
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CACTVS |
3.385 |
CC(=O)Nc1cc2ncccc2c(n1)c3cccc(C)c3C |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)Nc1cc2ncccc2c(n1)c3cccc(C)c3C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PKMWVRXJFLQNGE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (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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2019-10-25
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Last modified at ![](/pdbe/static/images/help.png)
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2020-03-27
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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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