18168

Source:http://linkedlifedata.com/resource/chembl/compound/18168

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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/C24H26O2S/c1-3-24(26)11-10-20-18-8-6-15-13-16(25)7-9-17(15)22(18)19(14-23(20,24)2)21-5-4-12-27-21/h1,4-5,12-13,18-20,26H,6-11,14H2,2H3/t18?,19?,20?,23?,24-/m0/s1
chemicalCompound:standardIn...	VXJUEZQVBUJYLC-RHFPOKSSSA-N
chemicalCompound:canonicalS...	CC12CC(C3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C#C)c5cccs5
chemicalCompound:molecularF...	C24 H26 O2 S
chemicalCompound:moleculeId	18168
chemicalCompound:mwFreebase	378.527
chemicalCompound:alogp	5.286
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	65.54
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.905
chemicalCompound:acdLogP	4.066
chemicalCompound:acdLogD	4.066
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	378.527
chemicalCompound:chemblId	CHEMBL16886
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118168
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:457972, activity:457973, activity:457974, activity:457975, activity:457976, activity:457977, activity:457978, activity:457979, activity:457980, activity:457981