1107525

Source:http://linkedlifedata.com/resource/chembl/compound/1107525

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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:1325
chemicalCompound:standardIn...	InChI=1S/C21H24F3N3S.C4H6O4/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,5,6)(H,7,8)
chemicalCompound:standardIn...	JMZPVBWHQMLKEL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1.OC(=O)CCC(=O)O
chemicalCompound:molecularF...	C25H30F3N3O4S
chemicalCompound:moleculeId	1107525
chemicalCompound:mwFreebase	407.496
chemicalCompound:alogp	4.975
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	35.02
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.62
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	525.584
chemicalCompound:acdMostBpk...	7.655
chemicalCompound:chemblId	CHEMBL1726794
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1207525
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:5379700, activity:6847987, activity:6982934, activity:7263308, activity:7313920, activity:7543017, activity:8285419, activity:8288152, activity:8339530, activity:8354681, activity:8369419, activity:8385184, activity:8471176, activity:8504426, activity:8540467, activity:8555928, activity:8636714, activity:8692772, activity:8712841, activity:8736973, activity:8739652, activity:8807338, activity:8841141, activity:8872145, activity:8892795, activity:9006682, activity:9021358, activity:9040318, activity:9056198, activity:9126075, activity:9136918, activity:9181969, activity:9224445, activity:9256909, activity:9267649, activity:9325591, activity:9345420, activity:9399368, activity:9401995, activity:9478420, activity:9485331, activity:9542542, activity:9658135, activity:9664522, activity:9736773, activity:9751718, activity:9830140, activity:9861150, activity:9902570, activity:9928525, activity:9961124, activity:9985100, activity:10050746, activity:10052785, activity:10114295, activity:10137238, activity:10175131, activity:10219290, activity:10252572, activity:10295926, activity:10298496, activity:10338011, activity:10408640, activity:10423669, activity:10519377, activity:10533515, activity:10561363