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KF1 : Summary
Code ![](/pdbe/static/images/help.png)
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KF1
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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-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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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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C21 H16 N6 O2
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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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384.391 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 |
c4cccc5cc(c1nncc1NC(=O)c2c3ncccn3nc2)c(cc45)OC |
SMILES
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CACTVS |
3.385 |
COc1cc2ccccc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5 |
Canonical SMILES
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CACTVS |
3.385 |
COc1cc2ccccc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C21H16N6O2/c1-29-18-10-14-6-3-2-5-13(14)9-15(18)19-17(12-23-26-19)25-21(28)16-11-24-27-8-4-7-22-20(16)27/h2-12H,1H3,(H,23,26)(H,25,28) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LGRPDWKAHUIEOE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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45 (29 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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2018-11-29
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Last modified at ![](/pdbe/static/images/help.png)
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2019-04-19
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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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