About: http://linked.opendata.cz/resource/drugbank/property/271B53E1-363D-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
  • 2
  • 0
  • 1
  • 7
  • captopril
  • 0.12
  • 3.69
  • -2
  • -2.9
  • 46.25
  • 102.158
  • 313.2832
  • InChIKey=IGIWMDIIFLPFOP-UHFFFAOYSA-N
  • 5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline
  • InChI=1S/C36H52N5O12.Fe/c1-24(22-30(43)37-26-15-10-13-21-41(51)35(26)48)53-36(49)27(38-33(47)28-23-52-34(39-28)25-14-8-9-17-29(25)42)16-11-12-20-40(50)31(44)18-6-4-2-3-5-7-19-32(45)46;/h6,8-9,14,17-18,24,26-28,30-31,37,42-43H,2-5,7,10-13,15-16,19-23H2,1H3,(H,38,47)(H,45,46);/q-3;+4/p-1/b18-6+;/t24-,26+,27-,28+,30-,31-;/m0./s1
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open...gy/drugbank/InChI of
is http://linked.open.../Molecular-Weight of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...urface-Area--PSA- 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...nk/MDDR-Like-Rule of
is http://linked.open...siological-Charge of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...tional-IUPAC-Name of
is http://linked.open...-strongest-basic- of
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