About: http://linked.opendata.cz/resource/drugbank/property/271B527C-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
  • 1
  • 4
  • 5
  • 0.34
  • 0.65
  • 3.57
  • 3.71
  • 10.1
  • -2
  • -3.1
  • -5.1
  • 9.46
  • 64.98
  • C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
  • InChIKey=RMOYVWKKOKERSW-UHFFFAOYSA-N
  • InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24+;/t20-,21-,22+,23+,25+,26-,27+,28+,29-,34+;/m0./s1
  • CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1
is http://linked.open...gy/drugbank/InChI of
is http://linked.open...y/drugbank/SMILES 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...nk/Polarizability of
is http://linked.open...atable-Bond-Count of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...siological-Charge of
is http://linked.open...strongest-acidic- of
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