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W69 : Summary
Code ![](/pdbe/static/images/help.png)
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W69
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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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6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-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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C19 H26 F 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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315.428 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 |
Fc1cc(cc(c1)CCCN(C)C)CCc2cc(cc(n2)N)C |
SMILES
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CACTVS |
3.385 |
CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C |
Canonical SMILES
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CACTVS |
3.385 |
CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QAFLXFWRGFNYKW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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49 (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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2017-09-05
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Last modified at ![](/pdbe/static/images/help.png)
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2018-07-06
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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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