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N5T : Summary
Code
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N5T
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One-letter code
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X
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Molecule name
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(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE
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Systematic names
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Formula
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C19 H18 F2 N2 O
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Formal charge
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0
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Molecular weight
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328.356 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(N(C)C)N2CC(=CC2c1ccccc1)c3cc(F)ccc3F |
SMILES
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CACTVS |
3.341 |
CN(C)C(=O)N1CC(=C[CH]1c2ccccc2)c3cc(F)ccc3F |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)C(=O)N1CC(=CC1c2ccccc2)c3cc(ccc3F)F |
Canonical SMILES
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CACTVS |
3.341 |
CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(F)ccc3F |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F |
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IUPAC InChI | InChI=1S/C19H18F2N2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m0/s1 |
IUPAC InChI key | WFFMEXQHWXEKBV-SFHVURJKSA-N |
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wwPDB Information |
Atom count
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42 (24 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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2006-01-17
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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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