439461

Source:http://linkedlifedata.com/resource/chembl/compound/439461

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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/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
chemicalCompound:standardIn...	WDXRGPWQVHZTQJ-OSJVMJFVSA-N
chemicalCompound:canonicalS...	C\C=C\1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
chemicalCompound:molecularF...	C21H28O2
chemicalCompound:moleculeId	439461
chemicalCompound:mwFreebase	312.446
chemicalCompound:alogp	4.031
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	34.14
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.382
chemicalCompound:acdLogD	2.382
chemicalCompound:fullMwt	312.446
chemicalCompound:chemblId	CHEMBL410683
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539461
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	GUGGULSTERONE
chemicalCompound:activity	activity:1610246, activity:1610247, activity:1610248, activity:1610249, activity:1610250, activity:1610251, activity:1610252, activity:1610253, activity:1610254, activity:1610255, activity:1610256, activity:1610257, activity:1610258, activity:1793787, activity:1793792, activity:1947209, activity:1947217, activity:1963023, activity:2096208, activity:2096219, activity:2096230, activity:2668807, activity:2668808, activity:2668809, activity:2668810, activity:3486827, activity:3486828, activity:3486829, activity:3486830, activity:3486831, activity:3486832, activity:3492336, activity:3607840, activity:3658037, activity:3768702, activity:3769499, activity:3778908, activity:3892969, activity:3894597, activity:3919713, activity:3951347, activity:4106387, activity:4173768, activity:4586735, activity:4674450, activity:4717860, activity:4723499, activity:4783663, activity:4865121, activity:4872664, activity:4872880, activity:4901606, activity:4902086, activity:4976504, activity:4980661, activity:5069008, activity:6074355, activity:6445280, activity:6469770, activity:6580954, activity:7005185, activity:7011361, activity:7022468, activity:7047055, activity:7048601, activity:7059224, activity:7457914, activity:7460836