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2UR : Summary
Code
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2UR
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One-letter code
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X
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Molecule name
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(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
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Systematic names
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Formula
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C10 H10 F N O2
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Formal charge
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0
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Molecular weight
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195.19 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Fc2cc1c(OC(C1)C)c(c2)C(=O)N |
SMILES
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CACTVS |
3.385 |
C[CH]1Cc2cc(F)cc(C(N)=O)c2O1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1Cc2cc(cc(c2O1)C(=O)N)F |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H]1Cc2cc(F)cc(C(N)=O)c2O1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F |
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IUPAC InChI | InChI=1S/C10H10FNO2/c1-5-2-6-3-7(11)4-8(10(12)13)9(6)14-5/h3-5H,2H2,1H3,(H2,12,13)/t5-/m1/s1 |
IUPAC InChI key | ZPHKBVTUIABAIO-RXMQYKEDSA-N |
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wwPDB Information |
Atom count
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24 (14 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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2014-02-12
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Last modified at
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2014-06-27
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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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