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Q9P : Summary
Code
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Q9P
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One-letter code
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X
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Molecule name
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Azolopyrimidine
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Systematic names
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Formula
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C12 H9 Cl N4 O
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Formal charge
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0
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Molecular weight
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260.679 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Oc1n2ncnc2nc(Cl)c1Cc3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl |
Canonical SMILES
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CACTVS |
3.385 |
Oc1n2ncnc2nc(Cl)c1Cc3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl |
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IUPAC InChI | InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2 |
IUPAC InChI key | AFMPXANNRQOFLA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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27 (18 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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2016-12-24
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Last modified at
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2017-07-14
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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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