About: http://linked.opendata.cz/resource/drugbank/property/271B4078-363D-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
  • 4
  • 0.02
  • 0.15
  • 1.1
  • 40.47
  • ethyl 3-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-1-carboxylate
  • [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O
  • 108.34
  • 158.03275669
  • 42.07
  • 423.238273207
  • 90.38
  • C10H17NO2
  • C23H28N8
  • InChIKey=XCCRAOPQCACRFC-JBOQNHBVSA-N
  • [H][C@@]1(CC(N)=O)CCCC2=C1C1=C(S2)N=C(NC1=O)C(=O)NCC1=CC=C2OCC(=O)NC2=C1
  • InChI=1S/C48H67N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,52,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;
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...y/drugbank/SMILES of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...nk/Polarizability of
is http://linked.open...bank/Refractivity of
is http://linked.open...atable-Bond-Count of
is http://linked.open...siological-Charge of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...strongest-acidic- of
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