About: http://linked.opendata.cz/resource/drugbank/property/271B594B-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
  • ChemAxon
http://linked.open...ank/propertyValue
  • 0
  • 1
  • 5
  • 4.32
  • -2.1
  • 15.59
  • 7.41
  • C21H22Cl2FN5O
  • InChI=1S/C14H5N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2H,(H,19,20)(H,21,22)(H,23,24)
  • 240.063388116
  • 33.52
  • 345.2484
  • (2R,3S,4R,6R)-6-{[(1R,2R,18R,19R,22R,25S,28R,40R)-48-{[(2R,3S,4R,5R,6S)-3-{[(2R,4S,5R,6S)-4-azaniumyl-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-40-carboxy-47,49-dichloro-18,32,35,37-tetrahydroxy-19-[(2S)-4-methyl-2-(methylazaniumyl)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaen-2-yl]oxy}-3-hydroxy-2,4-dimethyloxan-4-aminium
  • InChIKey=YXELUDMUQSCWQW-VCCNSJHSSA-N
  • NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
  • [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open...gy/drugbank/InChI of
is http://linked.open...Molecular-Formula of
is http://linked.open.../Molecular-Weight of
is http://linked.open...noisotopic-Weight of
is http://linked.open...y/drugbank/SMILES of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...nk/Polarizability of
is http://linked.open...bank/Ghose-Filter of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...strongest-acidic- of
is http://linked.open...-strongest-basic- of
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