620275

Source:http://linkedlifedata.com/resource/chembl/compound/620275

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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:10685
chemicalCompound:synonym	synonym:620275_AH-19065_RESEARCH_CODE, synonym:620275_Ranitidine Hcl_OTHER, synonym:620275_Ranitidine Hydrochloride_JAN
chemicalCompound:standardIn...	InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
chemicalCompound:standardIn...	GGWBHVILAJZWKJ-KJEVSKRMSA-N
chemicalCompound:canonicalS...	Cl.CN\C(=C/[N+](=O)[O-])\NCCSCc1oc(CN(C)C)cc1
chemicalCompound:molecularF...	C13H23ClN4O3S
chemicalCompound:moleculeId	620275
chemicalCompound:mwFreebase	314.404
chemicalCompound:alogp	1.039
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	111.55
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-0.068
chemicalCompound:acdLogD	-1.071
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	350.865
chemicalCompound:acdMostBpk...	8.36
chemicalCompound:chemblId	CHEMBL1092473
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:720275
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	RANITIDINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8777
chemicalCompound:firstAppro...	1983
chemicalCompound:activity	activity:3241706, activity:3490931, activity:4048272, activity:4242496, activity:4676142, activity:4753882, activity:4945742, activity:5041211, activity:5217379, activity:5570104, activity:5723459, activity:5745818, activity:5934624, activity:6809577, activity:6816524