85233

Source:http://linkedlifedata.com/resource/chembl/compound/85233

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:19573
chemicalCompound:synonym	synonym:85233_Delavirdine mesylate_FDA_ALTERNATIVE_NAME, synonym:85233_Delavirdine mesylate_USAN, synonym:85233_Rescriptor_OTHER, synonym:85233_Rescriptor_TRADE_NAME, synonym:85233_U-90152S_RESEARCH_CODE, synonym:85233_U-90152T_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
chemicalCompound:standardIn...	MEPNHSOMXMALDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(NS(=O)(=O)C)ccc4[nH]3.CS(=O)(=O)O
chemicalCompound:molecularF...	C23H32N6O6S2
chemicalCompound:moleculeId	85233
chemicalCompound:mwFreebase	456.561
chemicalCompound:alogp	2.292
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	118.81
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.022
chemicalCompound:acdLogP	3.534
chemicalCompound:acdLogD	1.768
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	552.667
chemicalCompound:acdMostBpk...	9.172
chemicalCompound:chemblId	CHEMBL929
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:185233
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DELAVIRDINE MESYLATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:4379
chemicalCompound:firstAppro...	1997
chemicalCompound:activity	activity:487421, activity:487422, activity:487423, activity:510148, activity:510149, activity:510150, activity:510151, activity:510152, activity:510153, activity:531960, activity:531961, activity:531962, activity:579090, activity:579091, activity:854380, activity:854381, activity:854382, activity:854383, activity:854384, activity:854385, activity:854386, activity:854387, activity:854388, activity:854389, activity:864400, activity:864401, activity:864402, activity:864403, activity:864404, activity:864405, activity:864406, activity:864407, activity:992297, activity:992298, activity:992299, activity:2442769, activity:2442782, activity:2442795, activity:2442807, activity:3307603, activity:3307604, activity:3307605, activity:3307610, activity:3307613, activity:3307616, activity:3307630, activity:3307641, activity:3307661, activity:3307665, activity:3307666, activity:3307704, activity:6362431, activity:6363038, activity:6363049, activity:6363060, activity:6363071