766797

Source:http://linkedlifedata.com/resource/chembl/compound/766797

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/C17H26N2O3/c1-11(19)14(9-18)15(20)10-22-16(21)12-5-7-13(8-6-12)17(2,3)4/h12-13,19-20H,5-8,10H2,1-4H3/b15-14-,19-11?
chemicalCompound:standardIn...	RYJCNESHRHCHHG-NHCILGORSA-N
chemicalCompound:canonicalS...	CC(=N)\C(=C(/O)\COC(=O)C1CCC(CC1)C(C)(C)C)\C#N
chemicalCompound:molecularF...	C17H26N2O3
chemicalCompound:moleculeId	766797
chemicalCompound:mwFreebase	306.4
chemicalCompound:alogp	2.932
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	94.16
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.163
chemicalCompound:acdLogP	4.074
chemicalCompound:acdLogD	2.055
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	306.4
chemicalCompound:acdMostBpk...	7.367
chemicalCompound:chemblId	CHEMBL1342913
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:866797
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:3949788, activity:3976164, activity:4100059, activity:4148325, activity:4213635, activity:4483153, activity:4502117, activity:5432532, activity:5514352, activity:5801215, activity:6736430, activity:6824413, activity:6879738, activity:7002007, activity:7292750, activity:7343211, activity:7408974