754472

Source:http://linkedlifedata.com/resource/chembl/compound/754472

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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:754472_Methylthiouracil_INN
chemicalCompound:standardIn...	InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
chemicalCompound:standardIn...	HWGBHCRJGXAGEU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CC(=O)NC(=S)N1
chemicalCompound:molecularF...	C5H6N2OS
chemicalCompound:moleculeId	754472
chemicalCompound:mwFreebase	142.179
chemicalCompound:alogp	0.595
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	73.22
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.663
chemicalCompound:acdLogP	0.135
chemicalCompound:acdLogD	0.02
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	142.179
chemicalCompound:chemblId	CHEMBL1330588
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:854472
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	METHYLTHIOURACIL
chemicalCompound:activity	activity:3883371, activity:4379530, activity:4385087, activity:4599014, activity:4607281, activity:5193461, activity:5193682, activity:5193693, activity:5193697, activity:5193756, activity:5194199, activity:5194204, activity:5194208, activity:5605035, activity:5724117, activity:7043638, activity:7059150