About: http://linked.opendata.cz/resource/drugbank/property/271B6466-363D-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
  • 0
  • 1
  • 6
  • 1.98
  • 215.2478
  • 7.19e-03 g/l
  • 83.83
  • C10H10O4
  • C4H10O2S2
  • InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15-/m0/s1
  • InChIKey=SWTFXINHZPXNOX-DZBHQSCQSA-N
  • CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
  • InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8+/m0/s1
  • CCCCCCSC[C@@H](NC(=O)CC[C@H]([NH3+])C(O)=O)C(=O)NCC(O)=O
  • [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)C(CC(CNC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@H](CO)NC(=O)[C@@]([H])(NC2=O)[C@H](O)CC1=CC=CC=C1)NCCN)NC(=O)C1=CC=C(C=C1)C1=CC=C(OCCCCCCCC)C=C1)[C@@H](C)O
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...y/drugbank/SMILES of
is http://linked.open.../Water-Solubility of
is http://linked.open...-Bond-Donor-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...bank/Ghose-Filter of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...siological-Charge of
is http://linked.open...strongest-acidic- of
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