27986

Source:http://linkedlifedata.com/resource/chembl/compound/27986

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:27986_Itraconazole_BAN, synonym:27986_Itraconazole_FDA_ALTERNATIVE_NAME, synonym:27986_Itraconazole_INN, synonym:27986_Itraconazole_JAN, synonym:27986_Itraconazole_TRADE_NAME, synonym:27986_Itraconazole_USAN, synonym:27986_R-51211_RESEARCH_CODE, synonym:27986_Sporanos_TRADE_NAME, synonym:27986_Sporanox_OTHER, synonym:27986_Sporanox_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
chemicalCompound:standardIn...	VHVPQPYKVGDNFY-ZPGVKDDISA-N
chemicalCompound:canonicalS...	CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
chemicalCompound:molecularF...	C35H38Cl2N8O4
chemicalCompound:moleculeId	27986
chemicalCompound:mwFreebase	705.633
chemicalCompound:alogp	6.434
chemicalCompound:hba	9
chemicalCompound:hbd	0
chemicalCompound:psa	100.79
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.995
chemicalCompound:acdLogD	4.934
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	705.633
chemicalCompound:acdMostBpk...	6.47
chemicalCompound:chemblId	CHEMBL22587
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:127986
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ITRACONAZOLE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:6076
chemicalCompound:firstAppro...	1988
chemicalCompound:activity	activity:38294, activity:38295, activity:38296, activity:38297, activity:38298, activity:38299, activity:38300, activity:38301, activity:64966, activity:132753, activity:132754, activity:132755, activity:132756, activity:132757, activity:132758, activity:138686, activity:138687, activity:138688, activity:138689, activity:138690, activity:138691, activity:160259, activity:160260, activity:160261, activity:160262, activity:160263, activity:160264, activity:190621, activity:190622, activity:190623, activity:190624, activity:190625, activity:190626, activity:228348, activity:228349, activity:228350, activity:228351, activity:228352, activity:228353, activity:228354, activity:228355, activity:228356, activity:228357, activity:228358, activity:228359, activity:228360, activity:228361, activity:228362, activity:228363, activity:228364, activity:259363, activity:259364, activity:259365, activity:266504