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HLQ : Summary
Code ![](/pdbe/static/images/help.png)
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HLQ
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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}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
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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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C15 H15 F4 N3
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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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313.293 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 |
Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F |
Canonical SMILES
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CACTVS |
3.385 |
Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AUZFKJZRALGBMB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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37 (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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2018-12-13
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Last modified at ![](/pdbe/static/images/help.png)
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2019-11-15
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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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