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LHM : Summary
Code
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LHM
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One-letter code
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X
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Molecule name
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N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
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Systematic names
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Formula
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C15 H16 F N3 O
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Formal charge
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0
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Molecular weight
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273.305 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3 |
SMILES
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CACTVS |
3.385 |
Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F |
Canonical SMILES
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CACTVS |
3.385 |
Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F |
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IUPAC InChI | InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20) |
IUPAC InChI key | HVMSJMIBUMLXDJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (20 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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2019-02-22
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Last modified at
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2019-05-03
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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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