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7QQ : Summary
Code
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7QQ
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One-letter code
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X
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Molecule name
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N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide
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Systematic names
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Formula
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C10 H10 N2 O2 S
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Formal charge
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0
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Molecular weight
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222.264 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1ccc2sc(NC(C)=O)nc2c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)Nc1nc2cc(ccc2s1)OC |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc2sc(NC(C)=O)nc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)Nc1nc2cc(ccc2s1)OC |
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IUPAC InChI | InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-5-7(14-2)3-4-9(8)15-10/h3-5H,1-2H3,(H,11,12,13) |
IUPAC InChI key | ZKNFVQNHIHCHEW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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25 (15 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2015-06-08
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Last modified at
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2016-06-24
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Status
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Released
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Obsoleted
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Not Assigned
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