About: http://linked.opendata.cz/resource/drugbank/property/271B4176-363D-11E5-9242-09173F13E4C5     Goto   Sponge   Distinct   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
  • 1
  • 5
  • -4
  • 13.61
  • C13H18N2O3
  • CC(=O)C1=C[N+](=CC=C1)[C@H]1O[C@@H](CO[P@]([O-])(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O
  • 186.2912
  • 300.990863195
  • 589.3417
  • 7.93e-02 g/l
  • CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2
  • C27H37N7O6S
  • C4H6CaO4
  • InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
  • InChIKey=HYVZYASDRIAOPU-BJOHPYRUSA-N
  • InChIKey=LJSQPIOQKDFEKE-UHFFFAOYSA-N
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.../Water-Solubility of
is http://linked.open...ogy/drugbank/logS of
is http://linked.open...nd-Acceptor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...strongest-acidic- of
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