About: http://linked.opendata.cz/resource/drugbank/property/271B6172-363D-11E5-9242-09173F13E4C5     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : owl:Thing, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
http://linked.open...nk/propertySource
  • ALOGPS
  • ChemAxon
http://linked.open...ank/propertyValue
  • 0
  • 1
  • 3
  • 0.28
  • -2.2
  • -4.6
  • -4.9
  • 89.69
  • (2R)-3-(2-hydroxyphenyl)-2-methylpropanoic acid
  • 338.172
  • 375.864
  • (2S,3R)-N'-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N,2-dihydroxy-3-(2-methylpropyl)succinamide
  • CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O
  • InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2
  • InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
  • InChIKey=YTYAKGJMNHDUDF-UPXOXWNWSA-N
  • [Br-].C[N+]1(CC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open...gy/drugbank/InChI of
is http://linked.open.../Molecular-Weight of
is http://linked.open...y/drugbank/SMILES of
is http://linked.open.../Water-Solubility of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...ogy/drugbank/logS of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...bank/Refractivity of
is http://linked.open...atable-Bond-Count of
is http://linked.open...bank/Ghose-Filter of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...tional-IUPAC-Name of
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