1007120

Source:http://linkedlifedata.com/resource/chembl/compound/1007120

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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/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24)
chemicalCompound:standardIn...	AOLUXCPBFADWFK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc4OCCOc4cc3s2
chemicalCompound:molecularF...	C20H21N3O5S2
chemicalCompound:moleculeId	1007120
chemicalCompound:mwFreebase	447.528
chemicalCompound:alogp	2.84
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	134.44
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.511
chemicalCompound:acdLogP	4.027
chemicalCompound:acdLogD	3.995
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	447.528
chemicalCompound:acdMostBpk...	2.398
chemicalCompound:chemblId	CHEMBL1583236
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1107120
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:3621374, activity:3644228, activity:3691432, activity:3721216, activity:3748942, activity:3769340, activity:3843178, activity:3888903, activity:3950718, activity:3967011, activity:4040177, activity:4174461, activity:4257206, activity:4493829, activity:4578800, activity:4634355, activity:4827709, activity:4885691, activity:4935567, activity:5010891, activity:5419386, activity:5465759, activity:5612762, activity:5650756, activity:5654728, activity:5680874, activity:5773823, activity:5860338, activity:5914417, activity:5974628, activity:5983775, activity:7363848, activity:7400393, activity:7492196, activity:7553836, activity:10801480