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THA : Summary
Code
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THA
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One-letter code
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X
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Molecule name
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TACRINE
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Systematic names
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Formula
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C13 H14 N2
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Formal charge
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0
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Molecular weight
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198.264 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n1c3c(c(c2c1cccc2)N)CCCC3 |
SMILES
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CACTVS |
3.341 |
Nc1c2CCCCc2nc3ccccc13 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c3c(n2)CCCC3)N |
Canonical SMILES
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CACTVS |
3.341 |
Nc1c2CCCCc2nc3ccccc13 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c3c(n2)CCCC3)N |
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IUPAC InChI | InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) |
IUPAC InChI key | YLJREFDVOIBQDA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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29 (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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1999-07-08
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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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