About: http://linked.opendata.cz/resource/drugbank/property/271B5E0C-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
  • FDA Label
  • MSDS
http://linked.open...ank/propertyValue
  • 2
  • 0
  • 3
  • 0.42
  • 9.3
  • 12.47
  • -4
  • 100.1622
  • 19 mg/mL
  • 2.84e+00 g/l
  • 264.136159128
  • (3-{14-chloro-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylamine
  • C18H32O3
  • InChIKey=ADEBPBSSDYVVLD-HXUWFJFHSA-N
  • InChIKey=KMIPKYQIOVAHOP-YLGJWRNMSA-N
  • InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
  • CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O
  • NC1=NC(=O)N(C=C1)[C@@H]1O[C@@H](CO[P@](O)(=O)O[C@]2(C[C@@H](O)[C@H](O)[C@H](O2)[C@@H](O)CO)C(O)=O)[C@H](O)[C@H]1O
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.../Molecular-Weight of
is http://linked.open...noisotopic-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...logy/drugbank/pKa of
is http://linked.open...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...nk/MDDR-Like-Rule 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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