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5SK : Summary
Code ![](/pdbe/static/images/help.png)
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5SK
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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}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-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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C14 H17 N5
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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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255.318 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 |
CC[CH](C)Nc1nc2ccccc2n3c(C)nnc13 |
SMILES
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OpenEye OEToolkits |
2.0.4 |
CCC(C)Nc1c2nnc(n2c3ccccc3n1)C |
Canonical SMILES
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CACTVS |
3.385 |
CC[C@@H](C)Nc1nc2ccccc2n3c(C)nnc13 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H17N5/c1-4-9(2)15-13-14-18-17-10(3)19(14)12-8-6-5-7-11(12)16-13/h5-9H,4H2,1-3H3,(H,15,16)/t9-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NPOOPJOEQAWGNZ-SECBINFHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (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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2015-11-21
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Last modified at ![](/pdbe/static/images/help.png)
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2016-10-28
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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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