About: http://linked.opendata.cz/resource/drugbank/property/271B63B3-363D-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
  • 0
  • 1
  • 17
  • 11.06
  • -3.1
  • 1.37e-02 g/l
  • 14.94
  • 44.53
  • 138.68
  • 2.84e+00 g/l
  • 2.90e-02 g/l
  • 285.687
  • 88.13
  • InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8+,10+/m0/s1
  • CN1C=NN=C1SC1=CC=C(N)C(=C1)C(=O)NC1=NC(C)=CS1
  • InChIKey=CHRPUSCNMSNSKL-UHFFFAOYSA-N
  • InChIKey=SLVMESMUVMCQIY-UHFFFAOYSA-N
  • InChIKey=WRTVMPQUJJYFOB-UHFFFAOYSA-N
  • InChI=1S/C63H91N15O26/c64-37(33-99-62(93)71-11-9-67-46-44(50(83)52(46)85)65-5-1-13-73-17-21-75(22-18-73)15-3-7-69-58(91)35-25-38(77(95)96)29-40(27-35)101-60-56(89)54(87)48(81)42(31-79)103-60)34-100-63(94)72-12-10-68-47-45(51(84)53(47)86)66-6-2-14-74-19-23-76(24-20-74)16-4-8-70-59(92)36-26-39(78(97)98)30-41(28-36)102-61-57(90)55(88)49(82)43(32-80)104-61/h25-30,37,42-43,48-49,54-57,60-61,65-68,79-82,87-90H,1-24,31-34,64H2,(H,69,91)(H,70,92)(H,71,93)(H,72,94)/t42-,43-,48-,49-,54+,55+,56-,57-,60-,61-/m1/s1
is http://linked.open...gy/drugbank/InChI 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...ogy/drugbank/logS of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...urface-Area--PSA- of
is http://linked.open...nk/Polarizability of
is http://linked.open...atable-Bond-Count 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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