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COX : Summary
Code
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COX
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One-letter code
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X
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Molecule name
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4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE
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Systematic names
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Formula
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C16 H14 N2 O3 S
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Formal charge
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0
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Molecular weight
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314.359 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3 |
SMILES
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CACTVS |
3.341 |
Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.341 |
Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N |
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IUPAC InChI | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) |
IUPAC InChI key | LNPDTQAFDNKSHK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (22 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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2005-09-02
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Last modified at
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2020-06-17
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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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