About: http://linked.opendata.cz/resource/drugbank/property/271B594C-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
  • 4
  • 8.88
  • -3.7
  • 4.36
  • 8.21
  • InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
  • 345.083819781
  • 439.01
  • C11H11N3O2S
  • C12H15F2O6P
  • InChIKey=BFXPAGBRVPZCLS-UHFFFAOYSA-N
  • [H][C@@]1(O)C=CC=C(C(=O)CCC(O)=O)[C@@]1([H])C(O)=O
  • N4-(5-chloro-2H-1,3-benzodioxol-4-yl)-N2-[3-(morpholin-4-yl)phenyl]pyrimidine-2,4-diamine
  • (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-ammonio-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-(methylammonio)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
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...noisotopic-Weight of
is http://linked.open...y/drugbank/SMILES of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...urface-Area--PSA- of
is http://linked.open...atable-Bond-Count of
is http://linked.open...k/Bioavailability of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...siological-Charge of
is http://linked.open...tional-IUPAC-Name of
is http://linked.open...-strongest-basic- of
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