163082

Source:http://linkedlifedata.com/resource/chembl/compound/163082

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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/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1
chemicalCompound:standardIn...	SIGSPDASOTUPFS-KQMXEUTGSA-N
chemicalCompound:canonicalS...	CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=C[C@@]2(O)C#C
chemicalCompound:molecularF...	C21 H26 O2
chemicalCompound:moleculeId	163082
chemicalCompound:mwFreebase	310.43
chemicalCompound:alogp	4.462
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.161
chemicalCompound:acdLogP	2.022
chemicalCompound:acdLogD	2.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	310.43
chemicalCompound:chemblId	CHEMBL101094
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:263082
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:98351, activity:98352