About: http://linked.opendata.cz/resource/drugbank/property/271B452C-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
  • ChemAxon
http://linked.open...ank/propertyValue
  • 0
  • 1
  • 3
  • 11.4
  • -3.1
  • 11.1
  • InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)25-18-16-11-24-26(19(16)23-12-22-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,22,23,25)
  • 1974.365
  • 308.082874143
  • 322.55
  • InChIKey=LEZWWPYKPKIXLL-UHFFFAOYSA-N
  • InChIKey=YAEYOLVKVWEHNB-JWXFUTCRSA-N
  • NCC[C@H](N)C(O)=O
  • InChI=1S/C20H20ClN3O2/c21-15-10-16-11(8-14(15)20(22)23)9-17(24-16)13-6-3-7-18(19(13)25)26-12-4-1-2-5-12/h3,6-10,12,24-25H,1-2,4-5H2,(H3,22,23)
  • OC(=O)C1=CC=CC=C1NC1=C(C=CC=C1)C(F)(F)F
  • InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
  • (2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
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...noisotopic-Weight of
is http://linked.open...y/drugbank/SMILES 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...atable-Bond-Count of
is http://linked.open...bank/Ghose-Filter of
is http://linked.open...strongest-acidic- of
is http://linked.open...-strongest-basic- of
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