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EVW : Summary
Code ![](/pdbe/static/images/help.png)
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EVW
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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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2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide
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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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C21 H17 N3 O S
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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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359.444 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 |
Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C21H17N3OS/c22-21-23-17-12-11-16(13-18(17)26-21)20(25)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H2,22,23)(H,24,25) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HWVRAXQZLQFQPC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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43 (26 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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2018-04-25
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Last modified at ![](/pdbe/static/images/help.png)
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2019-03-29
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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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