About: http://linked.opendata.cz/resource/drugbank/property/271B63E3-363D-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
  • ADME Research, USCD
  • ALOGPS
  • ChemAxon
http://linked.open...ank/propertyValue
  • 0
  • 3
  • 6
  • -2.7
  • 10.22
  • 31.19
  • 348.206
  • InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11+,15-14+/t36-,38-,39+,40-,41+,42-,44-,45-/m1/s1
  • -3.31
  • 414.230728214
  • 1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine
  • CCC(CC)C(=O)NC1=CC(=CC=C1NC(C)=O)C(O)=O
  • InChIKey=AFCGFAGUEYAMAO-UHFFFAOYSA-N
  • InChIKey=KBIWEWPGBHKYML-RYUDHWBXSA-N
  • InChIKey=QSLMDECMDJKHMQ-UHFFFAOYSA-N
  • InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m1/s1
  • CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=C(C#N)C2=C(CCC2)S1
  • 3-{5-[2-({thieno[3,2-d]pyrimidin-4-yl}amino)ethyl]-1,3-thiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea
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...ogy/drugbank/logP of
is http://linked.open...ogy/drugbank/logS of
is http://linked.open...nd-Acceptor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...nk/Polarizability 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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