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JJY : Summary
Code
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JJY
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One-letter code
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X
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Molecule name
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3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione
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Systematic names
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Formula
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C13 H13 N O2
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Formal charge
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0
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Molecular weight
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215.248 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C2CC(c3cc1C(=O)CCCc1nc3C2)=O |
SMILES
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CACTVS |
3.385 |
O=C1CCCc2nc3CCCC(=O)c3cc12 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1c2c(nc3c1C(=O)CCC3)CCCC2=O |
Canonical SMILES
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CACTVS |
3.385 |
O=C1CCCc2nc3CCCC(=O)c3cc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1c2c(nc3c1C(=O)CCC3)CCCC2=O |
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IUPAC InChI | InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2 |
IUPAC InChI key | ANTYWKFHKPMJLE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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29 (16 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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2018-09-11
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Last modified at
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2018-10-05
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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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