Source:http://linkedlifedata.com/resource/chembl/compound/1153512
| Predicate | Object |
|---|---|
| chemicalCompound:parent | |
| chemicalCompound:standardIn... |
InChI=1S/C61H92N18O12S.C2H4O2/c1-34(79-45-18-5-4-12-36(45)26-49(79)54(86)75-43(58(90)91)17-8-22-71-61(67)68)47-25-35-11-2-3-13-37(35)31-77(47)55(87)38(33-80)27-50(82)44(29-40-14-10-24-92-40)73-51(83)30-72-53(85)48-28-39(81)32-78(48)57(89)46-19-9-23-76(46)56(88)42(16-7-21-70-60(65)66)74-52(84)41(62)15-6-20-69-59(63)64;1-2(3)4/h2-3,10-11,13-14,24,36,38-39,41-49,80-81H,1,4-9,12,15-23,25-33,62H2,(H,72,85)(H,73,83)(H,74,84)(H,75,86)(H,90,91)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71);1H3,(H,3,4)/t36-,38-,39+,41+,42-,43-,44-,45-,46-,47+,48-,49-;/m0./s1
|
| chemicalCompound:standardIn... |
GIGNIIZCJQVWQX-CNPRXXNGSA-N
|
| chemicalCompound:canonicalS... |
CC(=O)O.N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](Cc3cccs3)C(=O)C[C@@H](CO)C(=O)N4Cc5ccccc5C[C@@H]4C(=C)N6[C@H]7CCCC[C@H]7C[C@H]6C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
|
| chemicalCompound:molecularF... |
C63H96N18O14S
|
| chemicalCompound:moleculeId |
1153512
|
| chemicalCompound:mwFreebase |
1301.56
|
| chemicalCompound:fullMwt |
1361.61
|
| chemicalCompound:chemblId |
CHEMBL1789861
|
| chemicalCompound:maxPhase |
4
|
| chemicalCompound:therapeuti... |
1
|
| chemicalCompound:dosedIngre... |
Yes
|
| chemicalCompound:structureT... | |
| chemicalCompound:chebi | |
| chemicalCompound:moleculeTy... | |
| chemicalCompound:oral |
No
|
| chemicalCompound:parenteral |
Yes
|
| chemicalCompound:topical |
No
|
| chemicalCompound:blackBoxWa... |
No
|
| chemicalCompound:naturalPro... |
No
|
| chemicalCompound:proDrug |
No
|
| chemicalCompound:prefName |
ICATIBANT ACETATE
|
| chemicalCompound:firstAppro... |
2008
|