674424

Source:http://linkedlifedata.com/resource/chembl/compound/674424

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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:675289
chemicalCompound:synonym	synonym:674424_Cyclopentolate Hydrochloride_JAN, synonym:674424_Cyclopentolate_BAN, synonym:674424_Cyclopentolate_INN
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H
chemicalCompound:standardIn...	RHKZVMUBMXGOLL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	674424
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	2.489
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.993
chemicalCompound:acdLogD	0.138
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	8.222
chemicalCompound:chemblId	CHEMBL1200473
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774424
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CYCLOPENTOLATE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:4025
chemicalCompound:activity	activity:3647932, activity:3778298, activity:3867365, activity:4408376, activity:6706173, activity:6766398, activity:7130922