1620

Source:http://linkedlifedata.com/resource/chembl/compound/1620

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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:1620_Brumetadina_TRADE_NAME, synonym:1620_Cimetidine_BAN, synonym:1620_Cimetidine_FDA_ALTERNATIVE_NAME, synonym:1620_Cimetidine_INN, synonym:1620_Cimetidine_JAN, synonym:1620_Cimetidine_TRADE_NAME, synonym:1620_Cimetidine_USAN, synonym:1620_Cimetidine_USP, synonym:1620_Tagamet HB_TRADE_NAME, synonym:1620_Tagamet hb 200_TRADE_NAME, synonym:1620_Tagamet_TRADE_NAME, synonym:1620_Valmagen_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C10H16N6S/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)
chemicalCompound:standardIn...	AQIXAKUUQRKLND-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN\C(=N/C#N)\NCCSCc1nc[nH]c1C
chemicalCompound:molecularF...	C10H16N6S
chemicalCompound:moleculeId	1620
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	252.339
chemicalCompound:acdMostBpk...	7.119
chemicalCompound:chemblId	CHEMBL30
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101620
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
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3699
chemicalCompound:activity	activity:39306, activity:39307, activity:40936, activity:40953, activity:40954, activity:40955, activity:60328, activity:60329, activity:78520, activity:78521, activity:78522, activity:83617, activity:83618, activity:83619, activity:83620, activity:100381, activity:104838, activity:104839, activity:104840, activity:107025, activity:107026, activity:107027, activity:107028, activity:107029, activity:107030, activity:108482, activity:108483, activity:187966, activity:187967, activity:187968, activity:187969, activity:210483, activity:210484, activity:210485, activity:219802, activity:219803, activity:228264, activity:228265, activity:228266, activity:228267, activity:255593, activity:255594, activity:255595, activity:331580, activity:345708, activity:345709, activity:345710, activity:370877, activity:370878, activity:401637, activity:403051, activity:415120, activity:415121