447087

Source:http://linkedlifedata.com/resource/chembl/compound/447087

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:447087_CP-16533-1_RESEARCH_CODE, synonym:447087_Calan SR_TRADE_NAME, synonym:447087_Calan_OTHER, synonym:447087_Calan_TRADE_NAME, synonym:447087_Covera-HS_OTHER, synonym:447087_D-365_RESEARCH_CODE, synonym:447087_Iproveratril_OTHER, synonym:447087_Isoptin SR_TRADE_NAME, synonym:447087_Isoptin_OTHER, synonym:447087_Isoptin_TRADE_NAME, synonym:447087_Tarka_OTHER, synonym:447087_Verapamil_BAN, synonym:447087_Verapamil_FDA_ALTERNATIVE_NAME, synonym:447087_Verapamil_INN, synonym:447087_Verapamil_USAN, synonym:447087_Verelan_OTHER
chemicalCompound:standardIn...	InChI=1S/C27H38N2O4/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/t27-/m1/s1
chemicalCompound:standardIn...	SGTNSNPWRIOYBX-HHHXNRCGSA-N
chemicalCompound:canonicalS...	COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
chemicalCompound:molecularF...	C27H38N2O4
chemicalCompound:moleculeId	447087
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	454.602
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL197
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:547087
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	VERAPAMIL
chemicalCompound:activity	activity:36591, activity:51508, activity:51509, activity:51510, activity:51511, activity:58361, activity:62540, activity:62541, activity:62542, activity:62543, activity:62544, activity:62545, activity:62546, activity:62547, activity:62548, activity:62549, activity:62550, activity:62551, activity:62552, activity:62553, activity:62554, activity:100754, activity:100755, activity:100756, activity:100757, activity:111660, activity:111661, activity:111662, activity:111663, activity:131459, activity:131460, activity:131461, activity:131462, activity:131463, activity:131464, activity:131465, activity:131466, activity:131467, activity:154852, activity:154853, activity:154854, activity:154855, activity:193920, activity:193921, activity:193922, activity:205097, activity:205098, activity:244553, activity:244554, activity:250476