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LL1 : Summary
Code
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LL1
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One-letter code
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X
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Molecule name
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3-pyridin-4-yl-1H-indazole
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Systematic names
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Formula
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C12 H9 N3
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Formal charge
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0
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Molecular weight
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195.22 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n2c(c1ccccc1n2)c3ccncc3 |
SMILES
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CACTVS |
3.341 |
[nH]1nc(c2ccncc2)c3ccccc13 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(n[nH]2)c3ccncc3 |
Canonical SMILES
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CACTVS |
3.341 |
[nH]1nc(c2ccncc2)c3ccccc13 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(n[nH]2)c3ccncc3 |
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IUPAC InChI | InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15) |
IUPAC InChI key | MSRXUUDVRNWSTN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (15 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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2008-07-04
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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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