214012

Source:http://linkedlifedata.com/resource/chembl/compound/214012

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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/C21H28O2/c1-4-21-10-7-17-16-6-5-15(22)12-14(16)11-13(2)19(17)18(21)8-9-20(21,3)23/h7,10,12-13,18-19,23H,4-6,8-9,11H2,1-3H3/t13-,18?,19?,20+,21?/m1/s1
chemicalCompound:standardIn...	YSLBKLPPCJJNEK-AQHSPZDDSA-N
chemicalCompound:canonicalS...	CCC12C=CC3=C4CCC(=O)C=C4C[C@@H](C)C3C1CC[C@]2(C)O
chemicalCompound:molecularF...	C21 H28 O2
chemicalCompound:moleculeId	214012
chemicalCompound:mwFreebase	312.446
chemicalCompound:alogp	3.68
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.595
chemicalCompound:acdLogD	4.595
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.446
chemicalCompound:chemblId	CHEMBL131454
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:314012
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:566466, activity:566467, activity:566468, activity:566469, activity:566470, activity:846162, activity:846163