About: http://linked.opendata.cz/resource/drugbank/property/271B637D-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
  • PhysProp
http://linked.open...ank/propertyValue
  • 2
  • 0
  • 9
  • 1.44
  • 46.8
  • -4.3
  • -5
  • 83.55
  • (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-cyclopentylethanone
  • 159.54
  • 360 °C
  • InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
  • C[C@@H](O)[C@@H](N)C1=NC=CS1
  • InChIKey=NVKAWKQGWWIWPM-UHFFFAOYSA-N
  • [H][C@@](C)(CO[P@@](O)(=O)CCCCCC)CC1=CC=CC=C1
  • [SH-].[SH-].S=[Mo]=S
  • InChI=1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
is http://linked.open...gy/drugbank/InChI of
is http://linked.open...y/drugbank/SMILES 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...ank/Boiling-Point of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...k/Number-of-Rings 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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