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L5G : Summary
Code
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L5G
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One-letter code
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X
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Molecule name
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7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
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Systematic names
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Formula
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C22 H17 N5 O2
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Formal charge
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0
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Molecular weight
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383.403 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n1c(ccc2nnc(n12)COc3c4ccc(OC)cc4ncc3)c5ccccc5 |
SMILES
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CACTVS |
3.341 |
COc1ccc2c(OCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5 |
Canonical SMILES
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CACTVS |
3.341 |
COc1ccc2c(OCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5 |
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IUPAC InChI | InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 |
IUPAC InChI key | HEAIZQNMNCHNFD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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46 (29 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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2008-03-02
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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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