418401

Source:http://linkedlifedata.com/resource/chembl/compound/418401

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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:418401_Azacitidine_FDA_ALTERNATIVE_NAME, synonym:418401_Azacitidine_INN, synonym:418401_Azacitidine_USAN, synonym:418401_Ladakamycin_OTHER, synonym:418401_U-18496_RESEARCH_CODE, synonym:418401_Vidaza_OTHER, synonym:418401_Vidaza_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
chemicalCompound:standardIn...	NMUSYJAQQFHJEW-KVTDHHQDSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
chemicalCompound:molecularF...	C8H12N4O5
chemicalCompound:moleculeId	418401
chemicalCompound:mwFreebase	244.205
chemicalCompound:alogp	-2.505
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	140.97
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.458
chemicalCompound:acdLogP	-2.191
chemicalCompound:acdLogD	-2.191
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	244.205
chemicalCompound:acdMostBpk...	3.285
chemicalCompound:chemblId	CHEMBL1489
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518401
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	Yes
chemicalCompound:prefName	AZACITIDINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:2038
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:140258, activity:414587, activity:414588, activity:895879, activity:2062606, activity:2356495, activity:2356515, activity:2356522, activity:2356530, activity:2431605, activity:2431630, activity:2431643, activity:2431659, activity:2431677, activity:2431704, activity:2431710, activity:2431723, activity:2588774, activity:2588786, activity:3491214, activity:3607856, activity:3646866, activity:3656584, activity:3657925, activity:3675751, activity:3698364, activity:3764303, activity:3768651, activity:3770475, activity:3772232, activity:3772645, activity:3774705, activity:3777873, activity:3778815, activity:3854875, activity:3894520, activity:3902726, activity:3903932, activity:3919375, activity:3919614, activity:3940514, activity:3942274, activity:3951256, activity:4060951, activity:4078735, activity:4106290, activity:4120897, activity:4128586, activity:4291368, activity:4303730, activity:4358414, activity:4370515, activity:4389398, activity:4403281, activity:4522698, activity:4586676