About: http://linked.opendata.cz/resource/drugbank/property/271B4530-363D-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
  • 10
  • 17
  • 6
  • -6.4
  • 38.88
  • 49.33
  • 89.34
  • [H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C
  • InChI=1S/C86H140N32O18S2/c87-34-4-1-14-55-71(125)111-60(16-3-6-36-89)80(134)118-42-12-21-67(118)79(133)115-64(45-50-26-32-53(121)33-27-50)75(129)110-59(19-10-40-104-85(97)98)70(124)108-56(15-2-5-35-88)73(127)116-65(77(131)112-61(81(135)136)20-11-41-105-86(99)100)46-137-138-47-66(78(132)114-62(43-48-22-28-51(119)29-23-48)74(128)109-58(69(123)107-55)18-9-39-103-84(95)96)117-76(130)63(44-49-24-30-52(120)31-25-49)113-72(126)57(17-8-38-102-83(93)94)106-68(122)54(90)13-7-37-101-82(91)92/h22-33,54-67,119-121H,1-21,34-47,87-90H2,(H,106,122)(H,107,123)(H,108,124)(H,109,128)(H,110,129)(H,111,125)(H,112,131)(H,113,126)(H,114,132)(H,115,133)(H,116,127)(H,117,130)(H,135,136)(H4,91,92,101)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)/t54-,55-,56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-/m0/s1
  • 28.54
  • 40.26
  • 7.09e-02 g/l
  • InChIKey=VREFGVBLTWBCJP-UHFFFAOYSA-N
is http://linked.open...gy/drugbank/InChI of
is http://linked.open...y/drugbank/SMILES of
is http://linked.open.../Water-Solubility of
is http://linked.open...nd-Acceptor-Count 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...k/Bioavailability of
is http://linked.open...siological-Charge of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...-strongest-basic- of
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