920235

Source:http://linkedlifedata.com/resource/chembl/compound/920235

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:80542
chemicalCompound:standardIn...	InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H/b18-5-;;
chemicalCompound:standardIn...	IOVDQEIIMOZNNA-MHKBYHAFSA-N
chemicalCompound:canonicalS...	Cl.Cl.OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
chemicalCompound:molecularF...	C23H27Cl2F3N2OS
chemicalCompound:moleculeId	920235
chemicalCompound:mwFreebase	434.518
chemicalCompound:alogp	4.819
chemicalCompound:hba	1
chemicalCompound:hbd	6
chemicalCompound:psa	52.01
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.667
chemicalCompound:acdLogD	3.437
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	507.439
chemicalCompound:acdMostBpk...	7.046
chemicalCompound:chemblId	CHEMBL1496351
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1020235
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:3635122, activity:3660684, activity:3696319, activity:3779531, activity:3930176, activity:3941363, activity:3974097, activity:4069610, activity:4279410, activity:4358669, activity:4403362, activity:4438723, activity:4536179, activity:4539011, activity:4567476, activity:4970510, activity:5065137, activity:5316260, activity:5343771, activity:5572034, activity:5763355, activity:5857508, activity:5876716, activity:7353703, activity:7514580, activity:7840072