About: http://linked.opendata.cz/resource/drugbank/property/271B6190-363D-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
  • 4
  • 5
  • 6
  • -1.2
  • -2.4
  • C12H24O3
  • InChIKey=IGSCYCAKHRXAKK-KBBCMHLPSA-N
  • 4-({4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl}amino)benzonitrile
  • InChI=1/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1
  • 0.096
  • 126.066736893
  • InChI=1S/C18H22O2S/c1-11(2)15-9-13(5-7-17(15)19)21-14-6-8-18(20)16(10-14)12(3)4/h5-12,19-20H,1-4H3
  • (2S)-1-[(2R)-2-aminobutanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
  • 9.07e-01 g/l
  • InChIKey=FVNFBBAOMBJTST-UHFFFAOYSA-N
  • (3R)-3-(fluoromethyl)-7-(thiomorpholine-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
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...noisotopic-Weight 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...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...atable-Bond-Count of
is http://linked.open...siological-Charge of
is http://linked.open...tional-IUPAC-Name of
is http://linked.open...-strongest-basic- of
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