250508

Source:http://linkedlifedata.com/resource/chembl/compound/250508

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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:1219
chemicalCompound:synonym	synonym:250508_Calan_TRADE_NAME, synonym:250508_Covera-hs_TRADE_NAME, synonym:250508_Isoptin sr_TRADE_NAME, synonym:250508_Isoptin_TRADE_NAME, synonym:250508_Verapamil Hydrochloride_JAN, synonym:250508_Verapamil Hydrochloride_USAN, synonym:250508_Verapamil Hydrochloride_USP, synonym:250508_Verapamil hydrochloride_FDA_ALTERNATIVE_NAME, synonym:250508_Verapamil hydrochloride_TRADE_NAME, synonym:250508_Verelan pm_TRADE_NAME, synonym:250508_Verelan_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H
chemicalCompound:standardIn...	DOQPXTMNIUCOSY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
chemicalCompound:molecularF...	C27 H39 N2 O4 . Cl
chemicalCompound:moleculeId	250508
chemicalCompound:mwFreebase	454.602
chemicalCompound:alogp	5.534
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	63.95
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.024
chemicalCompound:acdLogD	2.455
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	491.063
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL1280
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:350508
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	VERAPAMIL HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:53188
chemicalCompound:activity	activity:254013, activity:254014, activity:254015, activity:254016, activity:254017, activity:254018, activity:254019, activity:254020, activity:254021, activity:254022, activity:254023, activity:254024, activity:254025, activity:254026, activity:254027, activity:254028, activity:254029, activity:254030, activity:254031, activity:254032, activity:254033, activity:254034, activity:2310802, activity:2310814, activity:2979550, activity:3262600, activity:3482653, activity:3483437, activity:3483518, activity:3483599, activity:3483679, activity:3483760, activity:3483841, activity:3491202, activity:3625770, activity:3634082, activity:3658058, activity:3672994, activity:3695087, activity:3865981, activity:3915279, activity:3987946, activity:4084655, activity:4107399, activity:4278419, activity:4305994, activity:4358243, activity:4399879, activity:4535736, activity:4537589, activity:4560878, activity:4715218, activity:4717877