112651

Source:http://linkedlifedata.com/resource/chembl/compound/112651

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:112651_Bepadin_OTHER, synonym:112651_Bepridil_FDA_ALTERNATIVE_NAME, synonym:112651_Bepridil_INN, synonym:112651_Vascor_OTHER
chemicalCompound:standardIn...	InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
chemicalCompound:standardIn...	UIEATEWHFDRYRU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3
chemicalCompound:molecularF...	C24H34N2O
chemicalCompound:moleculeId	112651
chemicalCompound:mwFreebase	366.54
chemicalCompound:alogp	5.265
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	15.71
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.442
chemicalCompound:acdLogD	3.702
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	366.54
chemicalCompound:acdMostBpk...	9.213
chemicalCompound:chemblId	CHEMBL1008
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212651
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BEPRIDIL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3061
chemicalCompound:firstAppro...	1990
chemicalCompound:activity	activity:116411, activity:116412, activity:116413, activity:116414, activity:116415, activity:116416, activity:116417, activity:116418, activity:116419, activity:116420, activity:116421, activity:116422, activity:116423, activity:116424, activity:116425, activity:210590, activity:210591, activity:210592, activity:320643, activity:373858, activity:373859, activity:872366, activity:872367, activity:872368, activity:872369, activity:1031112, activity:1427112, activity:1449629, activity:1504996, activity:1523682, activity:1794636, activity:1901321, activity:1901341, activity:1901347, activity:2062623, activity:2133975, activity:2133976, activity:2133977, activity:2133978, activity:2134197, activity:2134198, activity:2134199, activity:2134286, activity:2134315, activity:2134340, activity:2134369, activity:2249907, activity:2351469, activity:2351492, activity:2351504, activity:2351506, activity:2351509, activity:2351510, activity:2351513, activity:2351514, activity:2351517, activity:2351518, activity:2351520, activity:2351526, activity:2351527