17964

Source:http://linkedlifedata.com/resource/chembl/compound/17964

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18?,19?,21-,22+/m0/s1
chemicalCompound:standardIn...	QFFCYTLOTYIJMR-IJZHQTRZSA-N
chemicalCompound:canonicalS...	CCC(=O)[C@@]1(C)CCC2C3CCC4=CC(=O)CCC4=C3CC[C@]12C
chemicalCompound:molecularF...	C22 H30 O2
chemicalCompound:moleculeId	17964
chemicalCompound:mwFreebase	326.472
chemicalCompound:alogp	4.682
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	34.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.949
chemicalCompound:acdLogD	3.949
chemicalCompound:fullMwt	326.472
chemicalCompound:chemblId	CHEMBL428353
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117964
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:443288, activity:443289, activity:443290, activity:443291, activity:443292, activity:443293, activity:443294, activity:443295, activity:443296, activity:443297, activity:1284990, activity:1284991, activity:1284992, activity:1284993