About: http://linked.opendata.cz/resource/drugbank/property/271B4D13-363D-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
  • SANGSTER (1994)
http://linked.open...ank/propertyValue
  • 0
  • 1
  • 5
  • agomelatine
  • -0.94
  • -2.9
  • 3.20
  • 4-(3-ethylthiophen-2-yl)benzene-1,2-diol
  • 5.45
  • 72.47
  • 9.23
  • 911.504
  • C20H28N2O4S
  • InChIKey=YPYFPLLZCVEYCS-NNYUYHANSA-N
  • (4R)-3-[(2S,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
  • InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-8,17H,1H3,(H3,16,18,21)/t8-/m0/s1
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.../Molecular-Weight of
is http://linked.open...ogy/drugbank/logP 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...k/Bioavailability of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...tional-IUPAC-Name of
is http://linked.open...strongest-acidic- of
is http://linked.open...-strongest-basic- of
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