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TWP : Summary
Code ![](/pdbe/static/images/help.png)
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TWP
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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-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide
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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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C16 H14 N2 O2
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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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266.295 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 |
c2cc1c(cccc1)n2Cc3ccc(C(NO)=O)cc3 |
SMILES
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CACTVS |
3.385 |
ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO |
Canonical SMILES
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CACTVS |
3.385 |
ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SUWMPMSWSJBENV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (20 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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2020-04-02
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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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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