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OL1 : Summary
Code
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OL1
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One-letter code
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X
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Molecule name
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7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
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Systematic names
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Formula
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C21 H24 N2 O3
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Formal charge
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0
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Molecular weight
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352.427 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n3c(c1oc(nc1)C(O)(O)CCCCCCc2ccccc2)cccc3 |
SMILES
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CACTVS |
3.352 |
OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3 |
SMILES
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OpenEye OEToolkits |
1.6.1 |
c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O |
Canonical SMILES
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CACTVS |
3.352 |
OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3 |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O |
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IUPAC InChI | InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-16-19(26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2 |
IUPAC InChI key | PUCSKUWLMPSADN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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50 (26 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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2009-05-19
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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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