750687

Source:http://linkedlifedata.com/resource/chembl/compound/750687

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H19NO4/c1-3-4-7-23-18(21)17-11(2)16-13(19-17)9-12(10-14(16)20)15-6-5-8-22-15/h3-6,8,12,19H,7,9-10H2,1-2H3/b4-3+
chemicalCompound:standardIn...	OGLZJGGVPOZKKC-ONEGZZNKSA-N
chemicalCompound:canonicalS...	C\C=C\COC(=O)c1[nH]c2CC(CC(=O)c2c1C)c3occc3
chemicalCompound:molecularF...	C18H19NO4
chemicalCompound:moleculeId	750687
chemicalCompound:mwFreebase	313.348
chemicalCompound:alogp	3.435
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	72.3
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.923
chemicalCompound:acdLogP	2.096
chemicalCompound:acdLogD	2.096
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	313.348
chemicalCompound:chemblId	CHEMBL1326803
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:850687
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:3715640, activity:3884809, activity:3921755, activity:3935062, activity:3953579, activity:3990742, activity:4065274, activity:4083329, activity:4171626, activity:4311827, activity:4377845, activity:4536709, activity:4570682, activity:4614023, activity:4671448, activity:4709775, activity:4731335, activity:4775470, activity:4779278, activity:4851676, activity:5075525, activity:5332841, activity:5342436, activity:5347194, activity:5427703, activity:5528987, activity:5577692, activity:5657434, activity:5706285, activity:5804772, activity:5856905, activity:5861114, activity:5878799, activity:6441197, activity:6943292, activity:6981828, activity:7040846, activity:7051168, activity:7110963, activity:7310900, activity:7357850, activity:7458381, activity:9808098