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9KW : Summary
Code
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9KW
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One-letter code
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X
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Molecule name
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~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
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Systematic names
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Formula
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C24 H28 N4 O5 S
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Formal charge
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0
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Molecular weight
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484.568 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CN1C(=O)C(=O)N(C)c2cc(N3CCOCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 |
Canonical SMILES
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CACTVS |
3.385 |
CN1C(=O)C(=O)N(C)c2cc(N3CCOCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 |
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IUPAC InChI | InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3 |
IUPAC InChI key | HKFDPIBCGYGLOO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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62 (34 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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2017-05-31
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Last modified at
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2018-06-08
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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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