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NCT : Summary
Code
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NCT
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One-letter code
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X
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Molecule name
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(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE
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Synonyms
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(S)-(-)-NICOTINE
3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE
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Systematic names
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Formula
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C10 H14 N2
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Formal charge
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0
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Molecular weight
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162.232 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n1cc(ccc1)C2N(C)CCC2 |
SMILES
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CACTVS |
3.341 |
CN1CCC[CH]1c2cccnc2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN1CCCC1c2cccnc2 |
Canonical SMILES
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CACTVS |
3.341 |
CN1CCC[C@H]1c2cccnc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[N@@]1CCC[C@H]1c2cccnc2 |
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IUPAC InChI | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 |
IUPAC InChI key | SNICXCGAKADSCV-JTQLQIEISA-N |
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wwPDB Information |
Atom count
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26 (12 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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2003-04-21
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Last modified at
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2020-05-27
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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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