About: http://linked.opendata.cz/resource/drugbank/property/271B5B90-363D-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
  • 6
  • 8
  • -1
  • -1.7
  • -2.8
  • -3.5
  • 2.59e+00 g/l
  • 3.53
  • 230.01260169
  • 534.8122
  • InChIKey=BEPGTHDUUROBHM-UHFFFAOYSA-N
  • InChI=1S/C40H46N12O15P2S/c41-33-27-36(44-18-43-33)51(19-45-27)39-32(56)30(54)26(66-39)17-64-69(61,62)67-68(59,60)63-16-25-29(53)31(55)38(65-25)49-13-10-24(22(14-49)34(42)57)52-15-23-35(47-52)46-20-50(40(23)70)28(21-8-4-3-5-9-21)37(58)48-11-6-1-2-7-12-48/h3-5,8-10,13-15,18-20,24-26,28-32,38-39,53,55H,1-2,6-7,11-12,16-17H2,(H2,42,57)(H,59,60)(H,61,62)(H2,41,43,44)/q-2/p-2/t24-,25+,26+,28-,29+,30+,31-,32-,38-,39-/m1/s1
  • COC1=CC(=CC(OC)=C1)C1=NC(=C(CN)C(N)=N1)C1=CC=C(Cl)C=C1Cl
  • InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
is http://linked.open...gy/drugbank/InChI 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...drugbank/InChIKey of
is http://linked.open...atable-Bond-Count of
is http://linked.open...k/Bioavailability of
is http://linked.open...bank/Ghose-Filter of
is http://linked.open...siological-Charge of
is http://linked.open...strongest-acidic- of
is http://linked.open...-strongest-basic- of
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