740025

Source:http://linkedlifedata.com/resource/chembl/compound/740025

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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:781907
chemicalCompound:standardIn...	InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20-;/m0./s1
chemicalCompound:standardIn...	BWHPNJVKFAPVOG-JGDZZCPMSA-N
chemicalCompound:canonicalS...	Cl.NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4
chemicalCompound:molecularF...	C20H28ClNO3
chemicalCompound:moleculeId	740025
chemicalCompound:mwFreebase	329.433
chemicalCompound:alogp	2.927
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	75.71
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.555
chemicalCompound:acdLogP	3.39
chemicalCompound:acdLogD	1.695
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	365.894
chemicalCompound:acdMostBpk...	9.12
chemicalCompound:chemblId	CHEMBL1316141
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:840025
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3634917, activity:3666470, activity:3696348, activity:3745100, activity:3780561, activity:3897341, activity:3931626, activity:3941374, activity:3960738, activity:3974139, activity:4053327, activity:4279442, activity:4346966, activity:4358695, activity:4403371, activity:4536211, activity:4539036, activity:4568844, activity:4905216, activity:4970537, activity:5037296, activity:5065151, activity:5569947, activity:5682338, activity:5855579, activity:5874973, activity:6809294, activity:7008919, activity:7368637, activity:7450895