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ET : Summary
Code
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ET
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One-letter code
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X
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Molecule name
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ETHIDIUM
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Systematic names
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Formula
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C21 H20 N3
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Formal charge
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1
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Molecular weight
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314.404 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N |
SMILES
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CACTVS |
3.341 |
CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
Canonical SMILES
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CACTVS |
3.341 |
CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
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IUPAC InChI | InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1 |
IUPAC InChI key | QTANTQQOYSUMLC-UHFFFAOYSA-O |
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wwPDB Information |
Atom count
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44 (24 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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HETAD
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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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1999-07-08
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Last modified at
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2011-06-04
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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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