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WMS : Summary
Code ![](/pdbe/static/images/help.png)
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WMS
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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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5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-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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C10 H10 F N3 S
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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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223.27 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 |
Cc1ncc(s1)CNc2cc(cnc2)F |
SMILES
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CACTVS |
3.385 |
Cc1sc(CNc2cncc(F)c2)cn1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ncc(s1)CNc2cc(cnc2)F |
Canonical SMILES
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CACTVS |
3.385 |
Cc1sc(CNc2cncc(F)c2)cn1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ncc(s1)CNc2cc(cnc2)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H10FN3S/c1-7-13-5-10(15-7)6-14-9-2-8(11)3-12-4-9/h2-5,14H,6H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SSOIKBIBPGCZFT-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (15 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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2020-10-30
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Last modified at ![](/pdbe/static/images/help.png)
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2020-11-06
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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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