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9OM : Summary
Code ![](/pdbe/static/images/help.png)
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9OM
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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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7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-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 H22 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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306.405 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 |
Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3 |
SMILES
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CACTVS |
3.385 |
Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DURWIDBNTFVYBY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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45 (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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2017-05-23
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Last modified at ![](/pdbe/static/images/help.png)
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2017-08-11
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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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