About: http://linked.opendata.cz/resource/drugbank/property/271B43B8-363D-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
  • PERRIN,DD (1965)
http://linked.open...ank/propertyValue
  • 0
  • 3
  • 1.44
  • -1
  • 14.88
  • 216.0832
  • OC1(CCN(CCCC2(SCCS2)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
  • 5-[(2R,3R)-2-{[(1S,2R)-2-{[(R)-(tert-butoxy)(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid
  • 1.35e+01 g/l
  • 28.67
  • 333.405
  • 4.53 (at 25 °C)
  • 62.95
  • InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
  • [H][C@]1(CC2=CC=C(O)C(OC)=C2)COC(=O)[C@]1([H])CC1=CC=C(O)C(OC)=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...logy/drugbank/pKa of
is http://linked.open...-Bond-Donor-Count of
is http://linked.open...nk/Polarizability of
is http://linked.open...bank/Refractivity of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...siological-Charge of
is http://linked.open...strongest-acidic- of
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