About: http://linked.opendata.cz/resource/drugbank/property/271B5FE8-363D-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
  • 3
  • -1
  • -0.82
  • -4.3
  • 1.24e-02 g/l
  • 145.44
  • 5.38
  • 6.79
  • 204.64
  • CNC1=C(C=C(SC2=NN=CN2C)C=C1)C(=O)NC1=NC(C)=CS1
  • NC(=N)NC1=CC=C(C=C1)C(O)=O
  • [H][C@@](CCSC)(NC(C)=O)C(O)=O
  • InChI=1S/C49H62N2O13Si/c1-23-17-15-18-24(2)47(58)51-38-42(56)34-33(37-45(38)62-31-19-16-20-32(36(31)50-37)64-65(13,14)48(8,9)10)35-44(28(6)41(34)55)63-49(11,46(35)57)60-22-21-30(59-12)25(3)43(61-29(7)52)27(5)40(54)26(4)39(23)53/h15-23,25-27,30,39-40,43,50,53-55H,1-14H3/b17-15+,22-21+,24-18-,51-38+/t23-,25+,26+,27+,30-,39-,40+,43+,49-/m0/s1
  • InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1
  • InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,7,10,16,18H,1H2,(H2,11,12,13)/t4-,7-,10-/m0/s1
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...ogy/drugbank/logP of
is http://linked.open...ogy/drugbank/logS of
is http://linked.open...urface-Area--PSA- of
is http://linked.open...k/Bioavailability of
is http://linked.open...bank/Ghose-Filter 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...bank/Rule-of-Five of
is http://linked.open...-strongest-basic- of
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