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WM7 : Summary
Code
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WM7
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One-letter code
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X
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Molecule name
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(3S)-N-benzylpyrrolidin-3-amine
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Systematic names
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Formula
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C11 H16 N2
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Formal charge
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0
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Molecular weight
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176.258 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c2cccc(CNC1CCNC1)c2 |
SMILES
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CACTVS |
3.385 |
C1C[CH](CN1)NCc2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)CNC2CCNC2 |
Canonical SMILES
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CACTVS |
3.385 |
C1C[C@@H](CN1)NCc2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)CN[C@H]2CCNC2 |
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IUPAC InChI | InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m0/s1 |
IUPAC InChI key | NFLXIAUKMQBTMN-NSHDSACASA-N |
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wwPDB Information |
Atom count
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29 (13 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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2020-10-30
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Last modified at
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2020-11-06
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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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