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1PQ : Summary
Code ![](/pdbe/static/images/help.png)
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1PQ
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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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(4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
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Synonyms ![](/pdbe/static/images/help.png)
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primaquine
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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 H21 N3 O
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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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259.347 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 |
3.370 |
COc1cc(N[CH](C)CCCN)c2ncccc2c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(CCCN)Nc1cc(cc2c1nccc2)OC |
Canonical SMILES
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CACTVS |
3.370 |
COc1cc(N[C@@H](C)CCCN)c2ncccc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | INDBQLZJXZLFIT-NSHDSACASA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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40 (19 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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2012-06-06
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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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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