921433

Source:http://linkedlifedata.com/resource/chembl/compound/921433

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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/C17H9ClF6N4O3S/c18-10-4-2-1-3-9(10)13(29)26-15(16(19,20)21,17(22,23)24)27-14-25-11-6-5-8(28(30)31)7-12(11)32-14/h1-7H,(H,25,27)(H,26,29)
chemicalCompound:standardIn...	GQSJCRLCUJUQDX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3Cl)(C(F)(F)F)C(F)(F)F)sc2c1
chemicalCompound:molecularF...	C17H9ClF6N4O3S
chemicalCompound:moleculeId	921433
chemicalCompound:mwFreebase	498.787
chemicalCompound:alogp	5.4
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	128.08
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.636
chemicalCompound:acdLogP	10.036
chemicalCompound:acdLogD	10.009
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	498.787
chemicalCompound:chemblId	CHEMBL1497549
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1021433
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:3636557, activity:3698831, activity:3738343, activity:3835249, activity:3861700, activity:3942623, activity:3954153, activity:3958166, activity:4007191, activity:4009744, activity:4069704, activity:4132182, activity:4208900, activity:4337007, activity:4414039, activity:4414253, activity:4433970, activity:4532018, activity:4539305, activity:4740182, activity:4754077, activity:4763372, activity:4781738, activity:4839496, activity:4912536, activity:4957755, activity:5000660, activity:5377778, activity:5414712, activity:5492230, activity:5514388, activity:5578609, activity:5707261, activity:5801251, activity:5895615, activity:6428803, activity:6469324, activity:6581967, activity:6766271, activity:6769569, activity:6982800, activity:6997575, activity:7028536, activity:7052467, activity:7195620, activity:7212126, activity:7263148, activity:7316040, activity:7370059, activity:7443415, activity:7491362, activity:8999934, activity:9364435, activity:9697821, activity:10453024, activity:10621482