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KSF : Summary
Code ![](/pdbe/static/images/help.png)
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KSF
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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-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
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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 H13 Cl N4
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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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320.776 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 |
10.04 |
Clc1ccccc1Nc3ncc(n2c3cnc2)c4ccccc4 |
SMILES
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CACTVS |
3.341 |
Clc1ccccc1Nc2ncc(n3cncc23)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl |
Canonical SMILES
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CACTVS |
3.341 |
Clc1ccccc1Nc2ncc(n3cncc23)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H13ClN4/c19-14-8-4-5-9-15(14)22-18-17-10-20-12-23(17)16(11-21-18)13-6-2-1-3-7-13/h1-12H,(H,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NNBICZMPIJMWGC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (23 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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2008-04-14
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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