675002

Source:http://linkedlifedata.com/resource/chembl/compound/675002

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:1620
chemicalCompound:synonym	synonym:675002_Cimetidine Hydrochloride_USAN
chemicalCompound:standardIn...	InChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H
chemicalCompound:standardIn...	QJHCNBWLPSXHBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN\C(=N/CCSCc1nc[nH]c1C)\NC#N
chemicalCompound:molecularF...	C10H17ClN6S
chemicalCompound:moleculeId	675002
chemicalCompound:mwFreebase	252.339
chemicalCompound:alogp	0.007
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	114.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.561
chemicalCompound:acdLogD	0.243
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.8
chemicalCompound:acdMostBpk...	7.119
chemicalCompound:chemblId	CHEMBL1201051
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775002
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	CIMETIDINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50362