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SQ4 : Summary
Code
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SQ4
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One-letter code
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X
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Molecule name
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1-(4-aminophenyl)pyrrole-2,5-dione
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Systematic names
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Formula
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C10 H8 N2 O2
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Formal charge
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0
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Molecular weight
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188.183 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1ccc(cc1)N2C(=O)C=CC2=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1N)N2C(=O)C=CC2=O |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ccc(cc1)N2C(=O)C=CC2=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1N)N2C(=O)C=CC2=O |
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IUPAC InChI | InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2 |
IUPAC InChI key | XOPCHXSYQHXLHJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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22 (14 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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2020-03-11
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Last modified at
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2020-07-17
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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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