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OD6 : Summary
Code
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OD6
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One-letter code
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X
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Molecule name
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4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine
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Systematic names
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Formula
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C16 H14 N2 Se
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Formal charge
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0
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Molecular weight
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313.256 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2 |
SMILES
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OpenEye OEToolkits |
3.1.0.0 |
c1ccc(cc1)Cc2ccc(cc2)c3c[se]c(n3)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
3.1.0.0 |
c1ccc(cc1)Cc2ccc(cc2)c3c[se]c(n3)N |
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IUPAC InChI | InChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) |
IUPAC InChI key | TVNNGQGXOFXDAF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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33 (19 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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2022-09-05
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Last modified at
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2023-04-28
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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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