About: http://linked.opendata.cz/resource/drugbank/property/271B5A2E-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
  • HANSCH,C ET AL. (1995)
http://linked.open...ank/propertyValue
  • 0
  • 1
  • 3
  • 2.25
  • 4.22
  • -1
  • -2
  • -2.4
  • -2.6
  • -4.8
  • 130.61
  • 30.45
  • 36.86
  • 69.11
  • (1R)-2-(3-{[(4E)-8-{3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-8-oxooct-4-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
  • 143.66
  • CO\N=C\[C@H]1C2CCC(C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C
  • InChIKey=TVZGACDUOSZQKY-LBPRGKRZSA-N
  • [H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H]
  • ClC1=CC(OC2=C(Cl)C=CC(OCC3=NNC4=NC=CC=C34)=C2)=CC(=C1)C#N
is http://linked.open...ugbank/IUPAC-Name 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...nd-Acceptor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...urface-Area--PSA- of
is http://linked.open...bank/Refractivity of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...siological-Charge of
is http://linked.open...bank/Rule-of-Five of
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